SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/miRNA-b7fa0280/inputs/seq.fa: 1
curr_seq: _UGAGGUAGUAGGUUGUAUAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGAGGUAGUAGGUUGUAUAGUU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 22 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -83.116756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116756 (E_RNA)
where:
Base-Base interactions energy: -1.242
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -145.452897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.452897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.452897 (E_RNA)
where:
Base-Base interactions energy: -70.250
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.037
local terms energy: -75.165597
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -114.310834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.310834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.310834 (E_RNA)
where:
Base-Base interactions energy: -50.297
where: short stacking energy: -48.205
Base-Backbone interact. energy: -0.247
local terms energy: -63.766965
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -109.789659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.789659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.789659 (E_RNA)
where:
Base-Base interactions energy: -46.768
where: short stacking energy: -46.768
Base-Backbone interact. energy: -0.078
local terms energy: -62.943741
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -146.905737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.905737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.905737 (E_RNA)
where:
Base-Base interactions energy: -85.495
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.011
local terms energy: -61.399864
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -106.100146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.100146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.100146 (E_RNA)
where:
Base-Base interactions energy: -43.399
where: short stacking energy: -41.113
Base-Backbone interact. energy: 0.426
local terms energy: -63.126324
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -97.398235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.398235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.398235 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.059
local terms energy: -56.417196
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -109.382282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.382282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.382282 (E_RNA)
where:
Base-Base interactions energy: -53.446
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.522
local terms energy: -55.414687
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -94.587415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.587415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.587415 (E_RNA)
where:
Base-Base interactions energy: -39.190
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.265
local terms energy: -55.132053
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -95.262666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.262666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.262666 (E_RNA)
where:
Base-Base interactions energy: -44.477
where: short stacking energy: -43.515
Base-Backbone interact. energy: 0.175
local terms energy: -50.960810
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -83.705931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.705931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.705931 (E_RNA)
where:
Base-Base interactions energy: -29.876
where: short stacking energy: -29.876
Base-Backbone interact. energy: -0.009
local terms energy: -53.820951
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -146.535471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.535471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.535471 (E_RNA)
where:
Base-Base interactions energy: -74.519
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.178
local terms energy: -71.838396
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -130.470700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.470700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.470700 (E_RNA)
where:
Base-Base interactions energy: -68.262
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.016
local terms energy: -62.193456
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -162.023807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.023807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.023807 (E_RNA)
where:
Base-Base interactions energy: -84.680
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.045
local terms energy: -77.298235
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -142.782828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.782828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.782828 (E_RNA)
where:
Base-Base interactions energy: -80.985
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.145
local terms energy: -61.653386
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -123.696639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.696639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.696639 (E_RNA)
where:
Base-Base interactions energy: -57.783
where: short stacking energy: -40.937
Base-Backbone interact. energy: -0.188
local terms energy: -65.725136
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -105.464520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.464520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.464520 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.117
local terms energy: -64.707128
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -90.255965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255965 (E_RNA)
where:
Base-Base interactions energy: -30.623
where: short stacking energy: -24.007
Base-Backbone interact. energy: -0.473
local terms energy: -59.159611
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -93.865353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.865353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.865353 (E_RNA)
where:
Base-Base interactions energy: -43.883
where: short stacking energy: -41.839
Base-Backbone interact. energy: -0.233
local terms energy: -49.749858
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -81.841882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.841882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.841882 (E_RNA)
where:
Base-Base interactions energy: -32.387
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.437
local terms energy: -49.017727
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -79.149404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.149404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.149404 (E_RNA)
where:
Base-Base interactions energy: -25.666
where: short stacking energy: -24.045
Base-Backbone interact. energy: 0.023
local terms energy: -53.506669
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -152.910226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.910226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.910226 (E_RNA)
where:
Base-Base interactions energy: -74.049
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.031
local terms energy: -78.830796
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -140.610381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.610381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.610381 (E_RNA)
where:
Base-Base interactions energy: -68.347
where: short stacking energy: -56.186
Base-Backbone interact. energy: -1.035
local terms energy: -71.228286
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -157.839600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.839600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.839600 (E_RNA)
where:
Base-Base interactions energy: -92.597
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.794
local terms energy: -64.448324
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -148.066408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.066408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.066408 (E_RNA)
where:
Base-Base interactions energy: -85.377
where: short stacking energy: -46.449
Base-Backbone interact. energy: -0.168
local terms energy: -62.520755
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -139.201760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.201760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.201760 (E_RNA)
where:
Base-Base interactions energy: -79.963
where: short stacking energy: -45.314
Base-Backbone interact. energy: -0.202
local terms energy: -59.036905
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -108.703112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.703112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.703112 (E_RNA)
where:
Base-Base interactions energy: -52.529
where: short stacking energy: -46.943
Base-Backbone interact. energy: 0.260
local terms energy: -56.434348
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -93.053806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.053806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.053806 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -29.329
Base-Backbone interact. energy: -0.015
local terms energy: -56.627104
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -89.231136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.231136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.231136 (E_RNA)
where:
Base-Base interactions energy: -40.681
where: short stacking energy: -39.923
Base-Backbone interact. energy: -0.306
local terms energy: -48.243727
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -7.098
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -84.439965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.439965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.439965 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -33.899
Base-Backbone interact. energy: -0.093
local terms energy: -50.384637
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -89.678396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.678396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.678396 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -31.059
Base-Backbone interact. energy: 0.196
local terms energy: -54.291643
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -163.883377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.883377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.883377 (E_RNA)
where:
Base-Base interactions energy: -91.125
where: short stacking energy: -60.513
Base-Backbone interact. energy: 0.067
local terms energy: -72.825158
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -166.551995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.551995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.551995 (E_RNA)
where:
Base-Base interactions energy: -89.873
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.007
local terms energy: -76.671795
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -114.900493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.900493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.900493 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.167
local terms energy: -61.553675
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -186.568489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.568489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.568489 (E_RNA)
where:
Base-Base interactions energy: -120.724
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.127
local terms energy: -65.717025
where:
bonds (distance) C4'-P energy: -8.122
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -171.805669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.805669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.805669 (E_RNA)
where:
Base-Base interactions energy: -103.930
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.118
local terms energy: -67.757331
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -97.212146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.212146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.212146 (E_RNA)
where:
Base-Base interactions energy: -36.773
where: short stacking energy: -28.602
Base-Backbone interact. energy: -0.018
local terms energy: -60.420393
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -105.702897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.702897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.702897 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -41.752
Base-Backbone interact. energy: -0.149
local terms energy: -62.470376
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -85.335904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.335904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.335904 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -32.415
Base-Backbone interact. energy: -0.130
local terms energy: -48.070832
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -87.034961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.034961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.034961 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -30.951
Base-Backbone interact. energy: 0.514
local terms energy: -56.594109
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -90.296502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.296502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.296502 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.023
local terms energy: -63.340386
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -163.354124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.354124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.354124 (E_RNA)
where:
Base-Base interactions energy: -90.370
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.266
local terms energy: -72.718521
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -170.323814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.323814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.323814 (E_RNA)
where:
Base-Base interactions energy: -95.630
where: short stacking energy: -52.773
Base-Backbone interact. energy: -2.042
local terms energy: -72.652080
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -205.636244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.636244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.636244 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -65.223
Base-Backbone interact. energy: -0.024
local terms energy: -80.873939
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -144.268046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.268046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.268046 (E_RNA)
where:
Base-Base interactions energy: -75.793
where: short stacking energy: -56.808
Base-Backbone interact. energy: 1.378
local terms energy: -69.853686
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -159.062575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.062575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.062575 (E_RNA)
where:
Base-Base interactions energy: -93.423
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.144
local terms energy: -65.495398
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -96.676940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.676940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.676940 (E_RNA)
where:
Base-Base interactions energy: -51.896
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.136
local terms energy: -44.645042
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -1.065
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -106.799886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.799886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.799886 (E_RNA)
where:
Base-Base interactions energy: -47.883
where: short stacking energy: -44.904
Base-Backbone interact. energy: -0.059
local terms energy: -58.857929
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -93.157362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157362 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -38.046
Base-Backbone interact. energy: 0.223
local terms energy: -49.484376
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -86.130123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130123 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -25.265
Base-Backbone interact. energy: -0.494
local terms energy: -46.464912
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: 1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -92.228465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.228465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.228465 (E_RNA)
where:
Base-Base interactions energy: -43.099
where: short stacking energy: -42.370
Base-Backbone interact. energy: -0.635
local terms energy: -48.494168
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -159.258534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.258534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.258534 (E_RNA)
where:
Base-Base interactions energy: -92.207
where: short stacking energy: -54.671
Base-Backbone interact. energy: 1.437
local terms energy: -68.487960
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -217.375653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.375653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.375653 (E_RNA)
where:
Base-Base interactions energy: -133.841
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.051
local terms energy: -83.483277
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -173.523082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.523082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.523082 (E_RNA)
where:
Base-Base interactions energy: -114.191
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.317
local terms energy: -59.014894
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -171.648287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.648287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.648287 (E_RNA)
where:
Base-Base interactions energy: -101.282
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.003
local terms energy: -70.363753
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -103.284593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.284593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.284593 (E_RNA)
where:
Base-Base interactions energy: -39.547
where: short stacking energy: -38.246
Base-Backbone interact. energy: 0.605
local terms energy: -64.342158
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -117.114896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.114896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.114896 (E_RNA)
where:
Base-Base interactions energy: -58.216
where: short stacking energy: -34.445
Base-Backbone interact. energy: -0.054
local terms energy: -58.845617
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -103.966695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.966695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.966695 (E_RNA)
where:
Base-Base interactions energy: -52.404
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.842
local terms energy: -50.721070
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -92.297072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.297072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.297072 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.102
local terms energy: -55.546745
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -91.156843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.156843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.156843 (E_RNA)
where:
Base-Base interactions energy: -40.265
where: short stacking energy: -35.532
Base-Backbone interact. energy: -0.159
local terms energy: -50.732661
where:
bonds (distance) C4'-P energy: -7.437
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -81.122463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.122463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.122463 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -24.713
Base-Backbone interact. energy: -0.067
local terms energy: -53.955124
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -215.497230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497230 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.029
local terms energy: -79.574185
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -159.772085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.772085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.772085 (E_RNA)
where:
Base-Base interactions energy: -92.921
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.367
local terms energy: -66.484222
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -170.913342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.913342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.913342 (E_RNA)
where:
Base-Base interactions energy: -100.721
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.218
local terms energy: -69.974153
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -176.812420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.812420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.812420 (E_RNA)
where:
Base-Base interactions energy: -93.462
where: short stacking energy: -52.530
Base-Backbone interact. energy: -0.577
local terms energy: -82.773316
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -119.230002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.230002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.230002 (E_RNA)
where:
Base-Base interactions energy: -53.939
where: short stacking energy: -48.910
Base-Backbone interact. energy: -0.005
local terms energy: -65.285427
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -113.019413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.019413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.019413 (E_RNA)
where:
Base-Base interactions energy: -49.481
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.096
local terms energy: -63.442542
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -96.531795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531795 (E_RNA)
where:
Base-Base interactions energy: -44.305
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.209
local terms energy: -52.018175
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -88.219207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219207 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -23.823
Base-Backbone interact. energy: -0.132
local terms energy: -58.743733
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -83.981330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.981330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.981330 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -36.005
Base-Backbone interact. energy: -0.111
local terms energy: -47.865675
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -74.372198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.372198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.372198 (E_RNA)
where:
Base-Base interactions energy: -28.024
where: short stacking energy: -26.032
Base-Backbone interact. energy: 0.272
local terms energy: -46.620028
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -231.763506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.763506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.763506 (E_RNA)
where:
Base-Base interactions energy: -147.480
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.064
local terms energy: -84.219020
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -188.988084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988084 (E_RNA)
where:
Base-Base interactions energy: -119.555
where: short stacking energy: -63.051
Base-Backbone interact. energy: -0.507
local terms energy: -68.926176
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -154.274754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.274754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.274754 (E_RNA)
where:
Base-Base interactions energy: -90.332
where: short stacking energy: -28.234
Base-Backbone interact. energy: 0.137
local terms energy: -64.079977
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -187.635599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.635599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.635599 (E_RNA)
where:
Base-Base interactions energy: -115.191
where: short stacking energy: -51.502
Base-Backbone interact. energy: -0.348
local terms energy: -72.096538
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -149.119862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.119862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.119862 (E_RNA)
where:
Base-Base interactions energy: -85.056
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.124
local terms energy: -63.939788
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -112.567779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.567779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.567779 (E_RNA)
where:
Base-Base interactions energy: -46.147
where: short stacking energy: -35.542
Base-Backbone interact. energy: -0.540
local terms energy: -65.880467
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -86.023074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.023074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.023074 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -26.862
Base-Backbone interact. energy: -0.389
local terms energy: -48.724640
where:
bonds (distance) C4'-P energy: -7.839
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -98.255359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.255359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.255359 (E_RNA)
where:
Base-Base interactions energy: -43.356
where: short stacking energy: -41.922
Base-Backbone interact. energy: -1.407
local terms energy: -53.493171
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -78.924640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924640 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -31.606
Base-Backbone interact. energy: -0.193
local terms energy: -46.354190
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -79.575504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.575504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.575504 (E_RNA)
where:
Base-Base interactions energy: -38.109
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.959
local terms energy: -40.507697
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -6.471
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.324033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.324033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.324033 (E_RNA)
where:
Base-Base interactions energy: -135.681
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.233
local terms energy: -72.409573
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -214.504883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.504883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.504883 (E_RNA)
where:
Base-Base interactions energy: -132.276
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.206
local terms energy: -82.022663
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -179.042198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.042198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.042198 (E_RNA)
where:
Base-Base interactions energy: -107.106
where: short stacking energy: -49.224
Base-Backbone interact. energy: -0.878
local terms energy: -71.058059
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -140.400786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.400786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.400786 (E_RNA)
where:
Base-Base interactions energy: -76.993
where: short stacking energy: -52.927
Base-Backbone interact. energy: -0.034
local terms energy: -63.374432
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -140.056423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.056423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.056423 (E_RNA)
where:
Base-Base interactions energy: -83.836
where: short stacking energy: -48.048
Base-Backbone interact. energy: 0.229
local terms energy: -56.449352
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -98.257877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.257877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.257877 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -36.013
Base-Backbone interact. energy: 0.918
local terms energy: -58.836151
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -88.467775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.467775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.467775 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -31.968
Base-Backbone interact. energy: 1.474
local terms energy: -50.198323
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -95.559148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.559148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.559148 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -30.897
Base-Backbone interact. energy: 1.090
local terms energy: -56.855524
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -89.572192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572192 (E_RNA)
where:
Base-Base interactions energy: -32.019
where: short stacking energy: -15.730
Base-Backbone interact. energy: -0.249
local terms energy: -57.304080
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -77.713924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.713924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.713924 (E_RNA)
where:
Base-Base interactions energy: -22.955
where: short stacking energy: -22.842
Base-Backbone interact. energy: -0.208
local terms energy: -54.550131
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -203.424835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.424835 (E_RNA)
where:
Base-Base interactions energy: -127.584
where: short stacking energy: -64.282
Base-Backbone interact. energy: 0.403
local terms energy: -76.243677
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -189.984917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.984917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.984917 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -53.352
Base-Backbone interact. energy: -0.089
local terms energy: -71.362880
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -162.495140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.495140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.495140 (E_RNA)
where:
Base-Base interactions energy: -92.625
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.126
local terms energy: -69.744522
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -159.492417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.492417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.492417 (E_RNA)
where:
Base-Base interactions energy: -90.289
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.336
local terms energy: -68.866579
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -116.480446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.480446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.480446 (E_RNA)
where:
Base-Base interactions energy: -64.113
where: short stacking energy: -22.218
Base-Backbone interact. energy: -0.133
local terms energy: -52.233522
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -94.325017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.325017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.325017 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -36.963
Base-Backbone interact. energy: 0.181
local terms energy: -56.496881
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -95.868588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.868588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.868588 (E_RNA)
where:
Base-Base interactions energy: -40.979
where: short stacking energy: -29.123
Base-Backbone interact. energy: -0.256
local terms energy: -54.634189
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -90.383441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.383441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.383441 (E_RNA)
where:
Base-Base interactions energy: -44.516
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.870
local terms energy: -44.997641
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -90.404249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404249 (E_RNA)
where:
Base-Base interactions energy: -43.780
where: short stacking energy: -19.775
Base-Backbone interact. energy: -0.517
local terms energy: -46.107039
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: 4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -76.658141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.658141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.658141 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -22.871
Base-Backbone interact. energy: -0.098
local terms energy: -44.884381
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -204.464730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.464730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.464730 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.281
local terms energy: -72.344732
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -198.905313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905313 (E_RNA)
where:
Base-Base interactions energy: -126.349
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.059
local terms energy: -72.497877
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -182.843639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.843639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.843639 (E_RNA)
where:
Base-Base interactions energy: -117.687
where: short stacking energy: -64.126
Base-Backbone interact. energy: 0.218
local terms energy: -65.374668
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -173.256264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.256264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.256264 (E_RNA)
where:
Base-Base interactions energy: -101.099
where: short stacking energy: -43.521
Base-Backbone interact. energy: -0.209
local terms energy: -71.947337
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -116.040562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.040562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.040562 (E_RNA)
where:
Base-Base interactions energy: -50.931
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.008
local terms energy: -65.101655
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -104.660571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.660571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.660571 (E_RNA)
where:
Base-Base interactions energy: -48.931
where: short stacking energy: -46.335
Base-Backbone interact. energy: -0.087
local terms energy: -55.642637
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -84.743844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.743844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.743844 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.159
local terms energy: -58.783714
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -81.887483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.887483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.887483 (E_RNA)
where:
Base-Base interactions energy: -31.112
where: short stacking energy: -23.051
Base-Backbone interact. energy: -0.125
local terms energy: -50.649864
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -94.731119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.731119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.731119 (E_RNA)
where:
Base-Base interactions energy: -41.688
where: short stacking energy: -41.688
Base-Backbone interact. energy: 0.303
local terms energy: -53.346126
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -74.796328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.796328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.796328 (E_RNA)
where:
Base-Base interactions energy: -29.104
where: short stacking energy: -20.002
Base-Backbone interact. energy: -1.034
local terms energy: -44.658587
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: 1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -201.773352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.773352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.773352 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.095
local terms energy: -75.089241
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -200.111365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.111365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111365 (E_RNA)
where:
Base-Base interactions energy: -135.945
where: short stacking energy: -57.886
Base-Backbone interact. energy: 1.716
local terms energy: -65.882266
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -150.921522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.921522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.921522 (E_RNA)
where:
Base-Base interactions energy: -80.704
where: short stacking energy: -46.356
Base-Backbone interact. energy: 0.576
local terms energy: -70.793427
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -176.700758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.700758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.700758 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.022
local terms energy: -61.568934
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -116.417668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.417668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.417668 (E_RNA)
where:
Base-Base interactions energy: -60.112
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.111
local terms energy: -56.194335
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -105.469691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469691 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.226
local terms energy: -60.631274
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -94.916964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.916964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.916964 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.762
local terms energy: -54.011955
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -99.587981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.587981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.587981 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -36.663
Base-Backbone interact. energy: -0.100
local terms energy: -63.224728
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -100.002179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.002179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.002179 (E_RNA)
where:
Base-Base interactions energy: -46.509
where: short stacking energy: -46.509
Base-Backbone interact. energy: -0.150
local terms energy: -53.343354
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -79.946117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.946117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.946117 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.024
local terms energy: -48.483235
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -210.944840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.944840 (E_RNA)
where:
Base-Base interactions energy: -134.737
where: short stacking energy: -68.696
Base-Backbone interact. energy: -1.140
local terms energy: -75.067567
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -218.911791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.911791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.911791 (E_RNA)
where:
Base-Base interactions energy: -146.430
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.211
local terms energy: -72.270959
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -169.511072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.511072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.511072 (E_RNA)
where:
Base-Base interactions energy: -99.046
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.381
local terms energy: -70.084531
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -150.271246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.271246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.271246 (E_RNA)
where:
Base-Base interactions energy: -78.999
where: short stacking energy: -48.603
Base-Backbone interact. energy: -0.174
local terms energy: -71.098495
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -108.476796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.476796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.476796 (E_RNA)
where:
Base-Base interactions energy: -50.053
where: short stacking energy: -37.825
Base-Backbone interact. energy: -1.065
local terms energy: -57.359652
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -100.718351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.718351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.718351 (E_RNA)
where:
Base-Base interactions energy: -37.183
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.259
local terms energy: -63.276281
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -6.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -100.332838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.332838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.332838 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -42.074
Base-Backbone interact. energy: -0.017
local terms energy: -58.341574
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -84.153425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.153425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.153425 (E_RNA)
where:
Base-Base interactions energy: -24.479
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.796
local terms energy: -58.878174
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -79.527764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.527764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.527764 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -23.610
Base-Backbone interact. energy: -0.167
local terms energy: -53.978351
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -78.861632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.861632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.861632 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -20.642
Base-Backbone interact. energy: 1.211
local terms energy: -53.957528
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -207.651734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.651734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.651734 (E_RNA)
where:
Base-Base interactions energy: -130.221
where: short stacking energy: -60.447
Base-Backbone interact. energy: -1.536
local terms energy: -75.894895
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -211.233113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233113 (E_RNA)
where:
Base-Base interactions energy: -135.267
where: short stacking energy: -63.787
Base-Backbone interact. energy: -1.110
local terms energy: -74.856988
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -164.145973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.145973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.145973 (E_RNA)
where:
Base-Base interactions energy: -93.267
where: short stacking energy: -55.998
Base-Backbone interact. energy: -0.872
local terms energy: -70.006774
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -146.675174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.675174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.675174 (E_RNA)
where:
Base-Base interactions energy: -77.545
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.022
local terms energy: -69.107665
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -96.158642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.158642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.158642 (E_RNA)
where:
Base-Base interactions energy: -35.057
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.134
local terms energy: -60.967637
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -97.428282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.428282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.428282 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -21.090
Base-Backbone interact. energy: 0.352
local terms energy: -57.211968
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -97.106509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.106509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.106509 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.152
local terms energy: -59.064062
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -90.109518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.109518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.109518 (E_RNA)
where:
Base-Base interactions energy: -36.608
where: short stacking energy: -34.931
Base-Backbone interact. energy: 0.271
local terms energy: -53.772500
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -82.125746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.125746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.125746 (E_RNA)
where:
Base-Base interactions energy: -23.790
where: short stacking energy: -23.790
Base-Backbone interact. energy: -0.736
local terms energy: -57.600553
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -76.081210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.081210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.081210 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -30.841
Base-Backbone interact. energy: -0.327
local terms energy: -42.521456
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -212.928094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.928094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.928094 (E_RNA)
where:
Base-Base interactions energy: -137.067
where: short stacking energy: -73.001
Base-Backbone interact. energy: -0.955
local terms energy: -74.906929
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -208.796567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.796567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.796567 (E_RNA)
where:
Base-Base interactions energy: -135.930
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.097
local terms energy: -72.769068
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -150.745491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.745491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.745491 (E_RNA)
where:
Base-Base interactions energy: -79.387
where: short stacking energy: -45.796
Base-Backbone interact. energy: -0.059
local terms energy: -71.299228
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -163.532939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.532939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.532939 (E_RNA)
where:
Base-Base interactions energy: -94.681
where: short stacking energy: -45.067
Base-Backbone interact. energy: -0.196
local terms energy: -68.655636
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -93.531025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531025 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.181
local terms energy: -59.602921
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -97.740346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.740346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.740346 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.537
local terms energy: -58.000175
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -97.227127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.227127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.227127 (E_RNA)
where:
Base-Base interactions energy: -48.367
where: short stacking energy: -47.799
Base-Backbone interact. energy: -0.841
local terms energy: -48.019329
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -105.380134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.380134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.380134 (E_RNA)
where:
Base-Base interactions energy: -51.060
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.864
local terms energy: -53.456103
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -79.348350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.348350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.348350 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -20.079
Base-Backbone interact. energy: -0.462
local terms energy: -45.951983
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -85.708852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.708852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.708852 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.187
local terms energy: -48.565882
where:
bonds (distance) C4'-P energy: -7.214
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -211.664051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.664051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.664051 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -69.467
Base-Backbone interact. energy: -1.146
local terms energy: -69.026489
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -212.166661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.166661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.166661 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.018
local terms energy: -81.210609
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -164.493136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.493136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.493136 (E_RNA)
where:
Base-Base interactions energy: -99.095
where: short stacking energy: -63.344
Base-Backbone interact. energy: 0.212
local terms energy: -65.610568
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -179.596899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.596899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.596899 (E_RNA)
where:
Base-Base interactions energy: -104.636
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.093
local terms energy: -74.868179
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -99.373320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373320 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.368
local terms energy: -58.661138
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -92.815711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.815711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.815711 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -39.484
Base-Backbone interact. energy: -0.185
local terms energy: -53.146137
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -8.733
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -95.900283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.900283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.900283 (E_RNA)
where:
Base-Base interactions energy: -43.374
where: short stacking energy: -39.710
Base-Backbone interact. energy: -0.181
local terms energy: -52.345123
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -97.734058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734058 (E_RNA)
where:
Base-Base interactions energy: -38.121
where: short stacking energy: -38.121
Base-Backbone interact. energy: 0.686
local terms energy: -60.298990
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -74.443432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.443432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.443432 (E_RNA)
where:
Base-Base interactions energy: -23.296
where: short stacking energy: -19.342
Base-Backbone interact. energy: -0.212
local terms energy: -50.934923
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.020190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.020190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.020190 (E_RNA)
where:
Base-Base interactions energy: -29.705
where: short stacking energy: -29.534
Base-Backbone interact. energy: -0.140
local terms energy: -47.175188
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -221.173377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.173377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.173377 (E_RNA)
where:
Base-Base interactions energy: -136.253
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.095
local terms energy: -84.825948
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -207.411404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.411404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.411404 (E_RNA)
where:
Base-Base interactions energy: -123.324
where: short stacking energy: -65.592
Base-Backbone interact. energy: -1.896
local terms energy: -82.191654
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -189.065712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.065712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.065712 (E_RNA)
where:
Base-Base interactions energy: -115.209
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.001
local terms energy: -73.855820
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -154.383552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.383552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.383552 (E_RNA)
where:
Base-Base interactions energy: -89.554
where: short stacking energy: -57.234
Base-Backbone interact. energy: 0.850
local terms energy: -65.679864
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -101.068719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.068719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.068719 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.052
local terms energy: -63.125940
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -99.308986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.308986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.308986 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.365
local terms energy: -60.455810
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -87.067894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067894 (E_RNA)
where:
Base-Base interactions energy: -31.846
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.222
local terms energy: -55.000667
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -96.096562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.096562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.096562 (E_RNA)
where:
Base-Base interactions energy: -42.183
where: short stacking energy: -42.183
Base-Backbone interact. energy: 0.279
local terms energy: -54.192106
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.661317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.661317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.661317 (E_RNA)
where:
Base-Base interactions energy: -26.714
where: short stacking energy: -24.966
Base-Backbone interact. energy: -0.019
local terms energy: -54.928319
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -72.314399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.314399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.314399 (E_RNA)
where:
Base-Base interactions energy: -28.396
where: short stacking energy: -25.276
Base-Backbone interact. energy: -0.196
local terms energy: -43.722023
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -216.021478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.021478 (E_RNA)
where:
Base-Base interactions energy: -132.858
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.632
local terms energy: -82.531105
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -203.778380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.778380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778380 (E_RNA)
where:
Base-Base interactions energy: -124.104
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.912
local terms energy: -78.762199
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -199.786688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.786688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.786688 (E_RNA)
where:
Base-Base interactions energy: -124.000
where: short stacking energy: -61.790
Base-Backbone interact. energy: -2.077
local terms energy: -73.709656
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -150.240637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.240637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.240637 (E_RNA)
where:
Base-Base interactions energy: -88.528
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.076
local terms energy: -61.636506
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -110.978198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.978198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.978198 (E_RNA)
where:
Base-Base interactions energy: -46.677
where: short stacking energy: -44.775
Base-Backbone interact. energy: 0.471
local terms energy: -64.771689
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -92.262613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.262613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.262613 (E_RNA)
where:
Base-Base interactions energy: -37.160
where: short stacking energy: -36.494
Base-Backbone interact. energy: -0.005
local terms energy: -55.097630
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -95.916362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.916362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.916362 (E_RNA)
where:
Base-Base interactions energy: -41.640
where: short stacking energy: -33.046
Base-Backbone interact. energy: 0.025
local terms energy: -54.301728
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -107.180660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.180660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.180660 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -35.667
Base-Backbone interact. energy: -0.155
local terms energy: -71.358673
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -77.230862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.230862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.230862 (E_RNA)
where:
Base-Base interactions energy: -21.100
where: short stacking energy: -19.846
Base-Backbone interact. energy: -0.558
local terms energy: -55.573472
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -79.503555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503555 (E_RNA)
where:
Base-Base interactions energy: -24.388
where: short stacking energy: -20.575
Base-Backbone interact. energy: -0.109
local terms energy: -55.006723
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -218.588783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.588783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.588783 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -70.878
Base-Backbone interact. energy: -0.000
local terms energy: -70.364975
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -194.777649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.777649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.777649 (E_RNA)
where:
Base-Base interactions energy: -120.607
where: short stacking energy: -61.529
Base-Backbone interact. energy: -0.807
local terms energy: -73.364139
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -216.664250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.664250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.664250 (E_RNA)
where:
Base-Base interactions energy: -130.195
where: short stacking energy: -72.766
Base-Backbone interact. energy: -0.393
local terms energy: -86.077051
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -143.545837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.545837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.545837 (E_RNA)
where:
Base-Base interactions energy: -77.174
where: short stacking energy: -46.196
Base-Backbone interact. energy: -0.271
local terms energy: -66.101218
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -105.670997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.670997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.670997 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -28.794
Base-Backbone interact. energy: -0.145
local terms energy: -68.213919
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -112.426702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.426702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.426702 (E_RNA)
where:
Base-Base interactions energy: -49.178
where: short stacking energy: -46.098
Base-Backbone interact. energy: -0.092
local terms energy: -63.156221
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -102.078759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.078759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.078759 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.100
local terms energy: -62.413451
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -97.969611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.969611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.969611 (E_RNA)
where:
Base-Base interactions energy: -42.372
where: short stacking energy: -42.372
Base-Backbone interact. energy: -0.197
local terms energy: -55.400316
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -80.077167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.077167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.077167 (E_RNA)
where:
Base-Base interactions energy: -22.822
where: short stacking energy: -22.607
Base-Backbone interact. energy: -0.222
local terms energy: -57.033626
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -86.931740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.931740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.931740 (E_RNA)
where:
Base-Base interactions energy: -31.792
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.754
local terms energy: -54.386081
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -212.231195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.231195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.231195 (E_RNA)
where:
Base-Base interactions energy: -139.732
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.820
local terms energy: -71.679874
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -207.398535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.398535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.398535 (E_RNA)
where:
Base-Base interactions energy: -129.269
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.009
local terms energy: -78.121266
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -195.696241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.696241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.696241 (E_RNA)
where:
Base-Base interactions energy: -123.705
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.595
local terms energy: -71.396775
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -143.905152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.905152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.905152 (E_RNA)
where:
Base-Base interactions energy: -77.352
where: short stacking energy: -51.142
Base-Backbone interact. energy: -0.132
local terms energy: -66.421575
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -129.633395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.633395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.633395 (E_RNA)
where:
Base-Base interactions energy: -63.761
where: short stacking energy: -41.254
Base-Backbone interact. energy: 0.473
local terms energy: -66.345656
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -97.557373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.557373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.557373 (E_RNA)
where:
Base-Base interactions energy: -41.200
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.543
local terms energy: -55.814308
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -107.695584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.695584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.695584 (E_RNA)
where:
Base-Base interactions energy: -48.414
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.012
local terms energy: -59.269832
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -83.326181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326181 (E_RNA)
where:
Base-Base interactions energy: -29.284
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.052
local terms energy: -53.990147
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -84.478169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478169 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -23.026
Base-Backbone interact. energy: -0.244
local terms energy: -52.395839
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -84.453472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.453472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.453472 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -26.701
Base-Backbone interact. energy: -0.094
local terms energy: -53.289911
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -211.397336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.397336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.397336 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -61.590
Base-Backbone interact. energy: -1.395
local terms energy: -75.445161
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -214.224406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.224406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.224406 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -61.872
Base-Backbone interact. energy: -0.012
local terms energy: -80.038398
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -188.417566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.417566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.417566 (E_RNA)
where:
Base-Base interactions energy: -126.115
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.056
local terms energy: -62.246340
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -157.305138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.305138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.305138 (E_RNA)
where:
Base-Base interactions energy: -86.872
where: short stacking energy: -53.701
Base-Backbone interact. energy: 1.048
local terms energy: -71.481160
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -101.619516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.619516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.619516 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -25.837
Base-Backbone interact. energy: 0.480
local terms energy: -62.213490
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -115.759475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.759475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.759475 (E_RNA)
where:
Base-Base interactions energy: -49.881
where: short stacking energy: -47.753
Base-Backbone interact. energy: -0.002
local terms energy: -65.875981
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -94.830275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.830275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.830275 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -42.820
Base-Backbone interact. energy: -0.071
local terms energy: -51.940108
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -89.435739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435739 (E_RNA)
where:
Base-Base interactions energy: -35.185
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.187
local terms energy: -54.063330
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -86.918784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.918784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.918784 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -28.103
Base-Backbone interact. energy: 0.271
local terms energy: -54.276063
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -82.847925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.847925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.847925 (E_RNA)
where:
Base-Base interactions energy: -25.817
where: short stacking energy: -25.817
Base-Backbone interact. energy: -0.338
local terms energy: -56.692469
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -220.894982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.894982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.894982 (E_RNA)
where:
Base-Base interactions energy: -146.479
where: short stacking energy: -67.566
Base-Backbone interact. energy: -0.000
local terms energy: -74.415417
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -199.173616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.173616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.173616 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.082
local terms energy: -71.915113
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -194.285505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.285505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.285505 (E_RNA)
where:
Base-Base interactions energy: -117.990
where: short stacking energy: -56.881
Base-Backbone interact. energy: -1.207
local terms energy: -75.088973
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -152.938806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.938806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.938806 (E_RNA)
where:
Base-Base interactions energy: -84.130
where: short stacking energy: -46.605
Base-Backbone interact. energy: -0.731
local terms energy: -68.077914
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -118.580720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.580720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.580720 (E_RNA)
where:
Base-Base interactions energy: -50.285
where: short stacking energy: -43.534
Base-Backbone interact. energy: -0.378
local terms energy: -67.917868
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -91.289435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.289435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.289435 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -23.372
Base-Backbone interact. energy: 0.878
local terms energy: -54.893389
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -99.833030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.833030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.833030 (E_RNA)
where:
Base-Base interactions energy: -45.714
where: short stacking energy: -37.549
Base-Backbone interact. energy: -0.209
local terms energy: -53.910148
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -87.376744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.376744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.376744 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -28.937
Base-Backbone interact. energy: 0.618
local terms energy: -59.057886
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -89.674591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.674591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.674591 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.107
local terms energy: -51.657305
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -69.880044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.880044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.880044 (E_RNA)
where:
Base-Base interactions energy: -21.781
where: short stacking energy: -21.781
Base-Backbone interact. energy: -0.568
local terms energy: -47.531062
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -219.233165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.233165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.233165 (E_RNA)
where:
Base-Base interactions energy: -138.241
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.001
local terms energy: -80.991130
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -206.165458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.165458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.165458 (E_RNA)
where:
Base-Base interactions energy: -127.063
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.036
local terms energy: -79.065912
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -196.661098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.661098 (E_RNA)
where:
Base-Base interactions energy: -124.697
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.342
local terms energy: -71.622482
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -167.032061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.032061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.032061 (E_RNA)
where:
Base-Base interactions energy: -105.528
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.555
local terms energy: -60.949507
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -109.648764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.648764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.648764 (E_RNA)
where:
Base-Base interactions energy: -45.831
where: short stacking energy: -46.400
Base-Backbone interact. energy: -0.561
local terms energy: -63.257476
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -103.029191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.029191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.029191 (E_RNA)
where:
Base-Base interactions energy: -42.463
where: short stacking energy: -40.325
Base-Backbone interact. energy: -0.070
local terms energy: -60.495733
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -101.596879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.596879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.596879 (E_RNA)
where:
Base-Base interactions energy: -61.227
where: short stacking energy: -45.855
Base-Backbone interact. energy: -0.125
local terms energy: -40.244585
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -3.740
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -107.980917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.980917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.980917 (E_RNA)
where:
Base-Base interactions energy: -38.700
where: short stacking energy: -38.700
Base-Backbone interact. energy: -0.017
local terms energy: -69.264469
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -76.995142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.995142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.995142 (E_RNA)
where:
Base-Base interactions energy: -20.417
where: short stacking energy: -15.770
Base-Backbone interact. energy: 0.551
local terms energy: -57.128604
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -74.872541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.872541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.872541 (E_RNA)
where:
Base-Base interactions energy: -19.642
where: short stacking energy: -19.642
Base-Backbone interact. energy: -0.485
local terms energy: -54.745037
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -217.109537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.109537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.109537 (E_RNA)
where:
Base-Base interactions energy: -135.110
where: short stacking energy: -54.984
Base-Backbone interact. energy: -0.057
local terms energy: -81.942841
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -212.077392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.077392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.077392 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -64.317
Base-Backbone interact. energy: 1.867
local terms energy: -75.587323
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -8.089
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -204.724071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.724071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.724071 (E_RNA)
where:
Base-Base interactions energy: -132.969
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.556
local terms energy: -71.199051
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -149.810705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.810705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.810705 (E_RNA)
where:
Base-Base interactions energy: -84.826
where: short stacking energy: -50.436
Base-Backbone interact. energy: -0.064
local terms energy: -64.921511
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -110.522564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.522564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.522564 (E_RNA)
where:
Base-Base interactions energy: -49.345
where: short stacking energy: -37.000
Base-Backbone interact. energy: -0.344
local terms energy: -60.833567
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -119.074220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.074220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.074220 (E_RNA)
where:
Base-Base interactions energy: -56.696
where: short stacking energy: -42.277
Base-Backbone interact. energy: -0.137
local terms energy: -62.241357
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -109.318296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.318296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.318296 (E_RNA)
where:
Base-Base interactions energy: -45.688
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.066
local terms energy: -63.564236
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -95.830204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.830204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.830204 (E_RNA)
where:
Base-Base interactions energy: -39.444
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.225
local terms energy: -56.161515
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -86.317537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317537 (E_RNA)
where:
Base-Base interactions energy: -34.624
where: short stacking energy: -27.632
Base-Backbone interact. energy: -0.360
local terms energy: -51.333249
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -76.008252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.008252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.008252 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -29.350
Base-Backbone interact. energy: 0.008
local terms energy: -46.665500
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -218.473828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.473828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.473828 (E_RNA)
where:
Base-Base interactions energy: -137.537
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.001
local terms energy: -80.936516
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -218.217728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.217728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.217728 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.009
local terms energy: -76.908232
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -195.343776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.343776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.343776 (E_RNA)
where:
Base-Base interactions energy: -118.229
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.794
local terms energy: -76.321049
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -150.983107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.983107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.983107 (E_RNA)
where:
Base-Base interactions energy: -80.410
where: short stacking energy: -51.515
Base-Backbone interact. energy: -0.134
local terms energy: -70.438418
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -104.230424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.230424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.230424 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.012
local terms energy: -62.863702
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -105.407592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.407592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.407592 (E_RNA)
where:
Base-Base interactions energy: -52.998
where: short stacking energy: -37.087
Base-Backbone interact. energy: -0.137
local terms energy: -52.272918
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -110.177604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.177604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.177604 (E_RNA)
where:
Base-Base interactions energy: -48.584
where: short stacking energy: -48.584
Base-Backbone interact. energy: -0.099
local terms energy: -61.494528
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -89.056920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.056920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.056920 (E_RNA)
where:
Base-Base interactions energy: -37.353
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.863
local terms energy: -50.841697
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -82.748371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.748371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.748371 (E_RNA)
where:
Base-Base interactions energy: -28.233
where: short stacking energy: -28.233
Base-Backbone interact. energy: -0.055
local terms energy: -54.460369
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -75.922278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.922278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.922278 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -22.461
Base-Backbone interact. energy: 1.085
local terms energy: -51.024641
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -204.097276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.097276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.097276 (E_RNA)
where:
Base-Base interactions energy: -127.746
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.007
local terms energy: -76.344287
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -217.174983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.174983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.174983 (E_RNA)
where:
Base-Base interactions energy: -136.583
where: short stacking energy: -67.265
Base-Backbone interact. energy: 1.284
local terms energy: -81.875564
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -191.740437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.740437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.740437 (E_RNA)
where:
Base-Base interactions energy: -117.363
where: short stacking energy: -52.775
Base-Backbone interact. energy: -1.862
local terms energy: -72.515903
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -149.766862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.766862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.766862 (E_RNA)
where:
Base-Base interactions energy: -85.749
where: short stacking energy: -41.717
Base-Backbone interact. energy: -1.291
local terms energy: -62.726563
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -100.227501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.227501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.227501 (E_RNA)
where:
Base-Base interactions energy: -42.937
where: short stacking energy: -40.921
Base-Backbone interact. energy: -0.039
local terms energy: -57.251219
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -111.816675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.816675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.816675 (E_RNA)
where:
Base-Base interactions energy: -52.505
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.119
local terms energy: -59.192599
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -94.915228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.915228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.915228 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -34.940
Base-Backbone interact. energy: -0.046
local terms energy: -56.730217
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -98.710347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.710347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.710347 (E_RNA)
where:
Base-Base interactions energy: -43.934
where: short stacking energy: -41.516
Base-Backbone interact. energy: -0.185
local terms energy: -54.590975
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -82.921983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921983 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -29.462
Base-Backbone interact. energy: -0.129
local terms energy: -45.292548
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: 3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -72.299917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.299917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.299917 (E_RNA)
where:
Base-Base interactions energy: -28.729
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.115
local terms energy: -43.455721
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -215.618718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.618718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.618718 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.004
local terms energy: -81.622118
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -182.639035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.639035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.639035 (E_RNA)
where:
Base-Base interactions energy: -110.036
where: short stacking energy: -55.412
Base-Backbone interact. energy: 0.216
local terms energy: -72.819690
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -172.255199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.255199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.255199 (E_RNA)
where:
Base-Base interactions energy: -101.871
where: short stacking energy: -69.359
Base-Backbone interact. energy: -0.047
local terms energy: -70.337164
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -181.769131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.769131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.769131 (E_RNA)
where:
Base-Base interactions energy: -125.391
where: short stacking energy: -52.732
Base-Backbone interact. energy: 0.319
local terms energy: -56.697883
where:
bonds (distance) C4'-P energy: -3.694
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -114.991270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.991270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.991270 (E_RNA)
where:
Base-Base interactions energy: -58.329
where: short stacking energy: -55.068
Base-Backbone interact. energy: -0.039
local terms energy: -56.623363
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -105.505946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.505946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.505946 (E_RNA)
where:
Base-Base interactions energy: -44.701
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.064
local terms energy: -60.741695
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -91.334675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334675 (E_RNA)
where:
Base-Base interactions energy: -37.548
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.100
local terms energy: -53.685951
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -86.826121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.826121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.826121 (E_RNA)
where:
Base-Base interactions energy: -40.291
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.183
local terms energy: -46.352203
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -76.702274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.702274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.702274 (E_RNA)
where:
Base-Base interactions energy: -28.718
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.147
local terms energy: -47.837439
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -5.531
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -82.659171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.659171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.659171 (E_RNA)
where:
Base-Base interactions energy: -22.933
where: short stacking energy: -21.488
Base-Backbone interact. energy: -0.053
local terms energy: -59.673076
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -220.179872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.179872 (E_RNA)
where:
Base-Base interactions energy: -140.200
where: short stacking energy: -71.649
Base-Backbone interact. energy: -0.002
local terms energy: -79.978039
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -168.136539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.136539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.136539 (E_RNA)
where:
Base-Base interactions energy: -91.546
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.007
local terms energy: -76.582973
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -177.719538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.719538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.719538 (E_RNA)
where:
Base-Base interactions energy: -114.580
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.017
local terms energy: -63.122379
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -170.204770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.204770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.204770 (E_RNA)
where:
Base-Base interactions energy: -109.514
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.994
local terms energy: -59.696492
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -107.944775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.944775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.944775 (E_RNA)
where:
Base-Base interactions energy: -57.573
where: short stacking energy: -37.080
Base-Backbone interact. energy: 0.935
local terms energy: -51.307136
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -99.602843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.602843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.602843 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -33.236
Base-Backbone interact. energy: -0.477
local terms energy: -61.267955
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -94.231306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231306 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.016
local terms energy: -55.537669
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -91.221560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.221560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.221560 (E_RNA)
where:
Base-Base interactions energy: -39.372
where: short stacking energy: -36.336
Base-Backbone interact. energy: -0.449
local terms energy: -51.400660
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -79.769183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.769183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.769183 (E_RNA)
where:
Base-Base interactions energy: -31.917
where: short stacking energy: -20.190
Base-Backbone interact. energy: -0.056
local terms energy: -47.796236
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -2.031
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.372071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.372071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.372071 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.078
local terms energy: -51.535035
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -216.531774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.531774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.531774 (E_RNA)
where:
Base-Base interactions energy: -132.219
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.219
local terms energy: -84.093436
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -160.486570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.486570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.486570 (E_RNA)
where:
Base-Base interactions energy: -89.571
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.029
local terms energy: -70.886853
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -199.627545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.627545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.627545 (E_RNA)
where:
Base-Base interactions energy: -129.596
where: short stacking energy: -61.417
Base-Backbone interact. energy: -1.358
local terms energy: -68.673133
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -153.164377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.164377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.164377 (E_RNA)
where:
Base-Base interactions energy: -95.375
where: short stacking energy: -42.568
Base-Backbone interact. energy: -0.822
local terms energy: -56.967111
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -104.127471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.127471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.127471 (E_RNA)
where:
Base-Base interactions energy: -42.409
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.068
local terms energy: -61.651058
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -118.871236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.871236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.871236 (E_RNA)
where:
Base-Base interactions energy: -65.360
where: short stacking energy: -41.377
Base-Backbone interact. energy: -0.100
local terms energy: -53.411247
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -98.992745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.992745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.992745 (E_RNA)
where:
Base-Base interactions energy: -48.685
where: short stacking energy: -33.163
Base-Backbone interact. energy: -0.810
local terms energy: -49.498125
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -87.992664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.992664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.992664 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -37.739
Base-Backbone interact. energy: 0.030
local terms energy: -45.658531
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -87.906004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.906004 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -30.322
Base-Backbone interact. energy: 0.576
local terms energy: -58.160427
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -81.556391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.556391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.556391 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -28.582
Base-Backbone interact. energy: -0.069
local terms energy: -52.905350
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -215.772016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.772016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.772016 (E_RNA)
where:
Base-Base interactions energy: -137.827
where: short stacking energy: -63.798
Base-Backbone interact. energy: 0.409
local terms energy: -78.353956
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -194.122795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.122795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.122795 (E_RNA)
where:
Base-Base interactions energy: -115.723
where: short stacking energy: -72.592
Base-Backbone interact. energy: -1.870
local terms energy: -76.529773
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -157.710154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.710154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.710154 (E_RNA)
where:
Base-Base interactions energy: -87.630
where: short stacking energy: -49.436
Base-Backbone interact. energy: -0.339
local terms energy: -69.741148
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -168.390420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390420 (E_RNA)
where:
Base-Base interactions energy: -104.671
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.134
local terms energy: -63.584933
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -137.140682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.140682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.140682 (E_RNA)
where:
Base-Base interactions energy: -74.536
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.556
local terms energy: -62.048429
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -128.567286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.567286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.567286 (E_RNA)
where:
Base-Base interactions energy: -67.660
where: short stacking energy: -39.760
Base-Backbone interact. energy: -0.144
local terms energy: -60.763944
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -92.199587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.199587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.199587 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -29.283
Base-Backbone interact. energy: -0.153
local terms energy: -59.493552
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -85.124860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.124860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.124860 (E_RNA)
where:
Base-Base interactions energy: -36.227
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.109
local terms energy: -48.789082
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -93.432132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.432132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.432132 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -32.381
Base-Backbone interact. energy: -0.789
local terms energy: -53.230650
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -75.246376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.246376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.246376 (E_RNA)
where:
Base-Base interactions energy: -18.908
where: short stacking energy: -13.546
Base-Backbone interact. energy: -0.252
local terms energy: -56.085974
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -215.329837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.329837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.329837 (E_RNA)
where:
Base-Base interactions energy: -133.671
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.191
local terms energy: -81.468174
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -186.261515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.261515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.261515 (E_RNA)
where:
Base-Base interactions energy: -109.066
where: short stacking energy: -57.135
Base-Backbone interact. energy: 0.414
local terms energy: -77.610304
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -169.196757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.196757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.196757 (E_RNA)
where:
Base-Base interactions energy: -104.182
where: short stacking energy: -49.085
Base-Backbone interact. energy: -0.028
local terms energy: -64.986369
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -143.596595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.596595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.596595 (E_RNA)
where:
Base-Base interactions energy: -80.683
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.667
local terms energy: -62.246325
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -173.777191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.777191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.777191 (E_RNA)
where:
Base-Base interactions energy: -102.748
where: short stacking energy: -50.293
Base-Backbone interact. energy: -0.400
local terms energy: -70.629334
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -85.368121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368121 (E_RNA)
where:
Base-Base interactions energy: -28.343
where: short stacking energy: -18.401
Base-Backbone interact. energy: -0.129
local terms energy: -56.896246
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: 3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -112.950186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.950186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.950186 (E_RNA)
where:
Base-Base interactions energy: -47.531
where: short stacking energy: -41.213
Base-Backbone interact. energy: 0.271
local terms energy: -65.690547
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -79.056239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.056239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.056239 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -26.658
Base-Backbone interact. energy: -0.105
local terms energy: -50.693893
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: 2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -93.242783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.242783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.242783 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.646
local terms energy: -55.009784
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -75.963583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.963583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.963583 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.180
local terms energy: -37.296706
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -5.059
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -200.481600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.481600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.481600 (E_RNA)
where:
Base-Base interactions energy: -129.315
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.095
local terms energy: -71.071559
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -183.321522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.321522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.321522 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -56.208
Base-Backbone interact. energy: -0.020
local terms energy: -76.903852
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -177.158284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.158284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.158284 (E_RNA)
where:
Base-Base interactions energy: -106.424
where: short stacking energy: -62.580
Base-Backbone interact. energy: 0.402
local terms energy: -71.136612
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -202.772982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.772982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.772982 (E_RNA)
where:
Base-Base interactions energy: -127.161
where: short stacking energy: -49.300
Base-Backbone interact. energy: -0.085
local terms energy: -75.527208
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -115.183322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.183322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.183322 (E_RNA)
where:
Base-Base interactions energy: -51.307
where: short stacking energy: -34.939
Base-Backbone interact. energy: 0.134
local terms energy: -64.010666
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -101.023556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.023556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.023556 (E_RNA)
where:
Base-Base interactions energy: -40.450
where: short stacking energy: -38.645
Base-Backbone interact. energy: -0.118
local terms energy: -60.455463
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -93.195714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.195714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.195714 (E_RNA)
where:
Base-Base interactions energy: -40.262
where: short stacking energy: -20.043
Base-Backbone interact. energy: -0.106
local terms energy: -52.827879
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -97.164173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.164173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.164173 (E_RNA)
where:
Base-Base interactions energy: -44.864
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.150
local terms energy: -52.150414
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -80.774932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774932 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -26.825
Base-Backbone interact. energy: 0.301
local terms energy: -53.580394
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -78.301124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.301124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.301124 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.144
local terms energy: -48.134882
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -212.954398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.954398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.954398 (E_RNA)
where:
Base-Base interactions energy: -133.405
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.300
local terms energy: -79.249411
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -183.060633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.060633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.060633 (E_RNA)
where:
Base-Base interactions energy: -110.348
where: short stacking energy: -59.090
Base-Backbone interact. energy: -0.098
local terms energy: -72.613963
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -221.763084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.763084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.763084 (E_RNA)
where:
Base-Base interactions energy: -144.363
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.391
local terms energy: -77.008337
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -189.586394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.586394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.586394 (E_RNA)
where:
Base-Base interactions energy: -115.652
where: short stacking energy: -51.684
Base-Backbone interact. energy: -0.094
local terms energy: -73.840467
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -127.482321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.482321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.482321 (E_RNA)
where:
Base-Base interactions energy: -63.639
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.054
local terms energy: -63.789699
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -107.304470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.304470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.304470 (E_RNA)
where:
Base-Base interactions energy: -61.253
where: short stacking energy: -29.292
Base-Backbone interact. energy: 1.775
local terms energy: -47.826667
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -100.314574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.314574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.314574 (E_RNA)
where:
Base-Base interactions energy: -43.353
where: short stacking energy: -43.353
Base-Backbone interact. energy: -0.071
local terms energy: -56.890896
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -98.301136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.301136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.301136 (E_RNA)
where:
Base-Base interactions energy: -44.398
where: short stacking energy: -39.554
Base-Backbone interact. energy: -0.139
local terms energy: -53.764866
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -84.885164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.885164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.885164 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.119
local terms energy: -49.696495
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -70.979952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.979952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.979952 (E_RNA)
where:
Base-Base interactions energy: -15.260
where: short stacking energy: -15.260
Base-Backbone interact. energy: -0.659
local terms energy: -55.061277
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -221.229633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.229633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.229633 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.696
local terms energy: -87.532223
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -220.755355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.755355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.755355 (E_RNA)
where:
Base-Base interactions energy: -141.605
where: short stacking energy: -58.589
Base-Backbone interact. energy: -0.140
local terms energy: -79.010256
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -165.884312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.884312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.884312 (E_RNA)
where:
Base-Base interactions energy: -90.950
where: short stacking energy: -45.373
Base-Backbone interact. energy: -0.555
local terms energy: -74.379649
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -199.143466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.143466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.143466 (E_RNA)
where:
Base-Base interactions energy: -130.809
where: short stacking energy: -57.122
Base-Backbone interact. energy: -0.147
local terms energy: -68.188003
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -15.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -111.030606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.030606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.030606 (E_RNA)
where:
Base-Base interactions energy: -48.647
where: short stacking energy: -36.172
Base-Backbone interact. energy: -0.045
local terms energy: -62.339140
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -101.700349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.700349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.700349 (E_RNA)
where:
Base-Base interactions energy: -54.776
where: short stacking energy: -31.038
Base-Backbone interact. energy: -1.407
local terms energy: -45.517416
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -97.795914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.795914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.795914 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -32.499
Base-Backbone interact. energy: -0.251
local terms energy: -62.018898
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -85.707514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.707514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.707514 (E_RNA)
where:
Base-Base interactions energy: -27.058
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.119
local terms energy: -58.531165
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -89.633281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.633281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.633281 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -31.006
Base-Backbone interact. energy: -0.739
local terms energy: -55.295395
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -94.585849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.585849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.585849 (E_RNA)
where:
Base-Base interactions energy: -48.421
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.373
local terms energy: -45.791371
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -224.005215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.005215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005215 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.167
local terms energy: -76.958345
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -221.572456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.572456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572456 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -62.111
Base-Backbone interact. energy: -0.010
local terms energy: -85.080289
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -165.449867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.449867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.449867 (E_RNA)
where:
Base-Base interactions energy: -94.352
where: short stacking energy: -45.088
Base-Backbone interact. energy: -1.409
local terms energy: -69.688701
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -149.162109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.162109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.162109 (E_RNA)
where:
Base-Base interactions energy: -84.928
where: short stacking energy: -48.191
Base-Backbone interact. energy: -1.675
local terms energy: -62.558345
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -94.632099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.632099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.632099 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -34.637
Base-Backbone interact. energy: 0.727
local terms energy: -56.823433
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -106.404213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.404213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.404213 (E_RNA)
where:
Base-Base interactions energy: -51.480
where: short stacking energy: -41.302
Base-Backbone interact. energy: -0.328
local terms energy: -54.596367
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -97.467735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.467735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.467735 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -32.355
Base-Backbone interact. energy: -0.844
local terms energy: -63.742941
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -97.313970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.313970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.313970 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -36.320
Base-Backbone interact. energy: 0.435
local terms energy: -58.672831
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -83.133586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.133586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.133586 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -23.496
Base-Backbone interact. energy: 1.508
local terms energy: -50.526245
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: 2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -76.035423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.035423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.035423 (E_RNA)
where:
Base-Base interactions energy: -21.867
where: short stacking energy: -21.867
Base-Backbone interact. energy: -0.023
local terms energy: -54.145234
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -222.769074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.769074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.769074 (E_RNA)
where:
Base-Base interactions energy: -144.608
where: short stacking energy: -67.351
Base-Backbone interact. energy: 0.578
local terms energy: -78.739729
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -215.045727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.045727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.045727 (E_RNA)
where:
Base-Base interactions energy: -134.270
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.001
local terms energy: -80.775431
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -182.903385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.903385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.903385 (E_RNA)
where:
Base-Base interactions energy: -111.775
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.016
local terms energy: -71.112391
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -121.661113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.661113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.661113 (E_RNA)
where:
Base-Base interactions energy: -57.221
where: short stacking energy: -49.984
Base-Backbone interact. energy: -0.001
local terms energy: -64.439054
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -143.877734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.877734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.877734 (E_RNA)
where:
Base-Base interactions energy: -78.502
where: short stacking energy: -43.641
Base-Backbone interact. energy: 0.443
local terms energy: -65.818399
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -96.207109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207109 (E_RNA)
where:
Base-Base interactions energy: -49.721
where: short stacking energy: -44.752
Base-Backbone interact. energy: -0.052
local terms energy: -46.434248
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -99.588631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588631 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -33.403
Base-Backbone interact. energy: -0.157
local terms energy: -58.876517
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -7.700
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -89.957675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.957675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.957675 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -29.849
Base-Backbone interact. energy: -0.103
local terms energy: -60.005374
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -90.936173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.936173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.936173 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -31.854
Base-Backbone interact. energy: 0.157
local terms energy: -58.990150
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -82.354341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354341 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.055
local terms energy: -50.272566
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -225.605384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.605384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.605384 (E_RNA)
where:
Base-Base interactions energy: -145.165
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.107
local terms energy: -80.333262
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -207.786845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.786845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.786845 (E_RNA)
where:
Base-Base interactions energy: -132.060
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.158
local terms energy: -75.568208
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -186.090325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.090325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.090325 (E_RNA)
where:
Base-Base interactions energy: -111.622
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.655
local terms energy: -73.813738
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -113.699539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.699539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.699539 (E_RNA)
where:
Base-Base interactions energy: -49.224
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.126
local terms energy: -64.349368
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -154.726007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.726007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.726007 (E_RNA)
where:
Base-Base interactions energy: -96.018
where: short stacking energy: -54.548
Base-Backbone interact. energy: 0.210
local terms energy: -58.918518
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -104.821562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.821562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.821562 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.142
local terms energy: -65.429756
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -92.919338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919338 (E_RNA)
where:
Base-Base interactions energy: -33.974
where: short stacking energy: -33.124
Base-Backbone interact. energy: -0.072
local terms energy: -58.873596
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -92.584931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.584931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.584931 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -28.103
Base-Backbone interact. energy: -0.190
local terms energy: -57.628298
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -79.044989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.044989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.044989 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.209
local terms energy: -50.579137
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -75.647456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.647456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.647456 (E_RNA)
where:
Base-Base interactions energy: -25.702
where: short stacking energy: -17.568
Base-Backbone interact. energy: -0.108
local terms energy: -49.837193
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -227.078407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.078407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.078407 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -67.808
Base-Backbone interact. energy: -0.008
local terms energy: -78.561632
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -189.058124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.058124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058124 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.087
local terms energy: -74.137701
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -211.627727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.627727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.627727 (E_RNA)
where:
Base-Base interactions energy: -133.857
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.031
local terms energy: -77.739546
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -162.467693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.467693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.467693 (E_RNA)
where:
Base-Base interactions energy: -89.729
where: short stacking energy: -50.255
Base-Backbone interact. energy: -1.082
local terms energy: -71.656860
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -110.950104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.950104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.950104 (E_RNA)
where:
Base-Base interactions energy: -54.274
where: short stacking energy: -42.163
Base-Backbone interact. energy: -0.165
local terms energy: -56.511240
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -132.564248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.564248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.564248 (E_RNA)
where:
Base-Base interactions energy: -81.070
where: short stacking energy: -46.981
Base-Backbone interact. energy: -0.046
local terms energy: -51.448722
where:
bonds (distance) C4'-P energy: -6.158
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: 0.406
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -95.558531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.558531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.558531 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -35.752
Base-Backbone interact. energy: -0.117
local terms energy: -59.690472
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -88.852942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.852942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.852942 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.271
local terms energy: -51.115319
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -83.207962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.207962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.207962 (E_RNA)
where:
Base-Base interactions energy: -40.289
where: short stacking energy: -30.052
Base-Backbone interact. energy: -0.015
local terms energy: -42.903207
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -76.164620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.164620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.164620 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -25.284
Base-Backbone interact. energy: -0.439
local terms energy: -49.181186
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -193.128403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.128403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.128403 (E_RNA)
where:
Base-Base interactions energy: -124.258
where: short stacking energy: -59.054
Base-Backbone interact. energy: -0.664
local terms energy: -68.205858
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -214.595886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.595886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.595886 (E_RNA)
where:
Base-Base interactions energy: -131.027
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.000
local terms energy: -83.568716
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -203.561177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.561177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.561177 (E_RNA)
where:
Base-Base interactions energy: -127.121
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.145
local terms energy: -76.294707
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -177.430105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.430105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.430105 (E_RNA)
where:
Base-Base interactions energy: -106.093
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.058
local terms energy: -71.278416
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -95.912575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.912575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.912575 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.997
local terms energy: -62.557549
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -103.252825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.252825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.252825 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -40.779
Base-Backbone interact. energy: -0.003
local terms energy: -62.471661
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -93.815122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.815122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.815122 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.625
local terms energy: -52.401315
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -8.525
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -87.793319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.793319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.793319 (E_RNA)
where:
Base-Base interactions energy: -29.679
where: short stacking energy: -29.679
Base-Backbone interact. energy: -0.114
local terms energy: -58.000160
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -88.278901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.278901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.278901 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -33.999
Base-Backbone interact. energy: 0.900
local terms energy: -52.004833
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -74.742901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.742901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.742901 (E_RNA)
where:
Base-Base interactions energy: -18.032
where: short stacking energy: -18.835
Base-Backbone interact. energy: -1.087
local terms energy: -55.624742
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -201.452089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.452089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.452089 (E_RNA)
where:
Base-Base interactions energy: -126.517
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.775
local terms energy: -74.160276
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -207.746308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.746308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.746308 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.154
local terms energy: -81.322118
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -211.481015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481015 (E_RNA)
where:
Base-Base interactions energy: -144.269
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.029
local terms energy: -67.183511
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -173.977414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.977414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977414 (E_RNA)
where:
Base-Base interactions energy: -103.407
where: short stacking energy: -54.453
Base-Backbone interact. energy: -0.058
local terms energy: -70.512477
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -137.468765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.468765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.468765 (E_RNA)
where:
Base-Base interactions energy: -72.616
where: short stacking energy: -42.511
Base-Backbone interact. energy: -0.450
local terms energy: -64.402087
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -95.872048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.872048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.872048 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -34.174
Base-Backbone interact. energy: -0.120
local terms energy: -53.525124
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -85.370934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.370934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.370934 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -30.803
Base-Backbone interact. energy: 0.532
local terms energy: -45.744606
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -84.166416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166416 (E_RNA)
where:
Base-Base interactions energy: -37.063
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.619
local terms energy: -46.485039
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -4.792
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -92.114571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.114571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.114571 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.326
local terms energy: -58.300895
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -83.742991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.742991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.742991 (E_RNA)
where:
Base-Base interactions energy: -23.227
where: short stacking energy: -23.227
Base-Backbone interact. energy: -0.447
local terms energy: -60.069079
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -212.369069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.369069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.369069 (E_RNA)
where:
Base-Base interactions energy: -131.935
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.268
local terms energy: -80.165757
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -217.497431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.497431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.497431 (E_RNA)
where:
Base-Base interactions energy: -134.014
where: short stacking energy: -59.543
Base-Backbone interact. energy: -0.623
local terms energy: -82.860921
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -221.283054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.283054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.283054 (E_RNA)
where:
Base-Base interactions energy: -139.067
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.943
local terms energy: -81.273697
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -175.326816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.326816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.326816 (E_RNA)
where:
Base-Base interactions energy: -102.730
where: short stacking energy: -62.408
Base-Backbone interact. energy: 0.002
local terms energy: -72.598041
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -150.663203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.663203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.663203 (E_RNA)
where:
Base-Base interactions energy: -85.207
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.455
local terms energy: -65.000380
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -96.301332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.301332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.301332 (E_RNA)
where:
Base-Base interactions energy: -40.742
where: short stacking energy: -33.416
Base-Backbone interact. energy: -0.096
local terms energy: -55.463479
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -104.254355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.254355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.254355 (E_RNA)
where:
Base-Base interactions energy: -37.145
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.020
local terms energy: -67.089000
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -82.849310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.849310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.849310 (E_RNA)
where:
Base-Base interactions energy: -26.885
where: short stacking energy: -26.885
Base-Backbone interact. energy: -0.329
local terms energy: -55.635271
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.453833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.453833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.453833 (E_RNA)
where:
Base-Base interactions energy: -31.819
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.109
local terms energy: -53.525288
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -81.080919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.080919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.080919 (E_RNA)
where:
Base-Base interactions energy: -29.476
where: short stacking energy: -30.164
Base-Backbone interact. energy: -0.102
local terms energy: -51.502604
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -215.744062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.744062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.744062 (E_RNA)
where:
Base-Base interactions energy: -139.705
where: short stacking energy: -72.325
Base-Backbone interact. energy: 1.620
local terms energy: -77.659285
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -215.370143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.370143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.370143 (E_RNA)
where:
Base-Base interactions energy: -140.853
where: short stacking energy: -74.773
Base-Backbone interact. energy: -0.001
local terms energy: -74.516347
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -212.203418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.203418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.203418 (E_RNA)
where:
Base-Base interactions energy: -125.651
where: short stacking energy: -60.996
Base-Backbone interact. energy: -1.166
local terms energy: -85.386729
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -170.524743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.524743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.524743 (E_RNA)
where:
Base-Base interactions energy: -94.620
where: short stacking energy: -55.523
Base-Backbone interact. energy: -1.497
local terms energy: -74.407893
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -135.972226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.972226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.972226 (E_RNA)
where:
Base-Base interactions energy: -74.760
where: short stacking energy: -45.594
Base-Backbone interact. energy: 1.757
local terms energy: -62.969806
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -150.771881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.771881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.771881 (E_RNA)
where:
Base-Base interactions energy: -91.762
where: short stacking energy: -43.735
Base-Backbone interact. energy: -0.755
local terms energy: -58.254825
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -118.170611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.170611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.170611 (E_RNA)
where:
Base-Base interactions energy: -51.523
where: short stacking energy: -44.033
Base-Backbone interact. energy: 0.310
local terms energy: -66.957495
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -88.668647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668647 (E_RNA)
where:
Base-Base interactions energy: -45.325
where: short stacking energy: -27.452
Base-Backbone interact. energy: 1.946
local terms energy: -45.289818
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -83.402157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.402157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.402157 (E_RNA)
where:
Base-Base interactions energy: -28.710
where: short stacking energy: -28.198
Base-Backbone interact. energy: -1.115
local terms energy: -53.577462
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -84.145571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.145571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.145571 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.099
local terms energy: -54.183921
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -208.409390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.409390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.409390 (E_RNA)
where:
Base-Base interactions energy: -125.704
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.016
local terms energy: -82.690112
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -220.087118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087118 (E_RNA)
where:
Base-Base interactions energy: -142.194
where: short stacking energy: -66.338
Base-Backbone interact. energy: -0.112
local terms energy: -77.781021
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -219.755986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.755986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.755986 (E_RNA)
where:
Base-Base interactions energy: -136.292
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.630
local terms energy: -82.833171
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -161.968274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.968274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.968274 (E_RNA)
where:
Base-Base interactions energy: -88.155
where: short stacking energy: -51.957
Base-Backbone interact. energy: -0.261
local terms energy: -73.552301
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -159.720840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.720840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.720840 (E_RNA)
where:
Base-Base interactions energy: -90.165
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.005
local terms energy: -69.551394
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -148.370431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.370431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.370431 (E_RNA)
where:
Base-Base interactions energy: -89.317
where: short stacking energy: -45.097
Base-Backbone interact. energy: -0.167
local terms energy: -58.886178
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -85.742202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.742202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.742202 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -28.352
Base-Backbone interact. energy: 0.237
local terms energy: -56.038162
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -86.956395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.956395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.956395 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.197
local terms energy: -51.269409
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -72.312144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.312144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.312144 (E_RNA)
where:
Base-Base interactions energy: -26.078
where: short stacking energy: -22.750
Base-Backbone interact. energy: -0.008
local terms energy: -46.226396
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -85.542361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.542361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.542361 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -34.325
Base-Backbone interact. energy: 2.176
local terms energy: -51.615141
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -211.637101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.637101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.637101 (E_RNA)
where:
Base-Base interactions energy: -132.540
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.046
local terms energy: -79.050826
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -219.198817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.198817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.198817 (E_RNA)
where:
Base-Base interactions energy: -135.448
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.701
local terms energy: -83.050009
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -211.200114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.200114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.200114 (E_RNA)
where:
Base-Base interactions energy: -131.464
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.047
local terms energy: -79.688783
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -151.962384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.962384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.962384 (E_RNA)
where:
Base-Base interactions energy: -87.425
where: short stacking energy: -48.168
Base-Backbone interact. energy: -0.603
local terms energy: -63.934602
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -128.547740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.547740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.547740 (E_RNA)
where:
Base-Base interactions energy: -67.364
where: short stacking energy: -41.777
Base-Backbone interact. energy: -0.137
local terms energy: -61.046819
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -143.773144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.773144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.773144 (E_RNA)
where:
Base-Base interactions energy: -78.272
where: short stacking energy: -41.741
Base-Backbone interact. energy: -1.000
local terms energy: -64.501256
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -97.377424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.377424 (E_RNA)
where:
Base-Base interactions energy: -44.590
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.124
local terms energy: -52.663323
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -92.406790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.406790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.406790 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -36.238
Base-Backbone interact. energy: -0.114
local terms energy: -56.054834
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -88.197039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197039 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -32.374
Base-Backbone interact. energy: -0.009
local terms energy: -55.813365
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -88.596804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.596804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.596804 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.546
local terms energy: -48.883277
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -222.991516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991516 (E_RNA)
where:
Base-Base interactions energy: -144.734
where: short stacking energy: -68.634
Base-Backbone interact. energy: -1.611
local terms energy: -76.647317
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -218.674438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.674438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.674438 (E_RNA)
where:
Base-Base interactions energy: -143.964
where: short stacking energy: -62.866
Base-Backbone interact. energy: -0.128
local terms energy: -74.582917
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -209.925234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.925234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.925234 (E_RNA)
where:
Base-Base interactions energy: -127.499
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.049
local terms energy: -82.377608
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -179.791446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.791446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.791446 (E_RNA)
where:
Base-Base interactions energy: -104.975
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.092
local terms energy: -74.723968
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -170.911938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.911938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.911938 (E_RNA)
where:
Base-Base interactions energy: -103.715
where: short stacking energy: -47.959
Base-Backbone interact. energy: -0.847
local terms energy: -66.350263
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -99.478997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.478997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.478997 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -33.361
Base-Backbone interact. energy: -0.139
local terms energy: -61.215554
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -101.633389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.633389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.633389 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.130
local terms energy: -62.217904
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -92.106681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.106681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.106681 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -39.291
Base-Backbone interact. energy: -0.004
local terms energy: -52.308982
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -78.647353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.647353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.647353 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -28.221
Base-Backbone interact. energy: 0.911
local terms energy: -49.729524
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -83.392729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.392729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.392729 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.163
local terms energy: -48.593838
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -218.763413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.763413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.763413 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -63.660
Base-Backbone interact. energy: 1.549
local terms energy: -80.619203
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -202.450200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.450200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.450200 (E_RNA)
where:
Base-Base interactions energy: -126.002
where: short stacking energy: -56.729
Base-Backbone interact. energy: -0.217
local terms energy: -76.231555
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -214.036892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.036892 (E_RNA)
where:
Base-Base interactions energy: -138.443
where: short stacking energy: -63.170
Base-Backbone interact. energy: -0.411
local terms energy: -75.182981
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -203.588490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.588490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.588490 (E_RNA)
where:
Base-Base interactions energy: -129.503
where: short stacking energy: -54.041
Base-Backbone interact. energy: -0.004
local terms energy: -74.081362
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -155.293300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.293300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.293300 (E_RNA)
where:
Base-Base interactions energy: -97.312
where: short stacking energy: -40.237
Base-Backbone interact. energy: -0.773
local terms energy: -57.208959
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -104.445668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.445668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.445668 (E_RNA)
where:
Base-Base interactions energy: -49.581
where: short stacking energy: -38.645
Base-Backbone interact. energy: -0.096
local terms energy: -54.769172
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -96.569291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.569291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.569291 (E_RNA)
where:
Base-Base interactions energy: -38.374
where: short stacking energy: -36.307
Base-Backbone interact. energy: -0.122
local terms energy: -58.073642
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -88.134348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134348 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.083
local terms energy: -50.761109
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -83.553837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.553837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.553837 (E_RNA)
where:
Base-Base interactions energy: -25.049
where: short stacking energy: -25.049
Base-Backbone interact. energy: -0.324
local terms energy: -58.180672
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -79.227355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227355 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -29.597
Base-Backbone interact. energy: -2.675
local terms energy: -46.955295
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -7.603
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -221.329327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329327 (E_RNA)
where:
Base-Base interactions energy: -141.541
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.666
local terms energy: -79.121964
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -209.626214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.626214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.626214 (E_RNA)
where:
Base-Base interactions energy: -130.122
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.009
local terms energy: -79.494813
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -223.440135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.440135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.440135 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.001
local terms energy: -73.050641
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -206.854610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.854610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.854610 (E_RNA)
where:
Base-Base interactions energy: -129.047
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.427
local terms energy: -77.380952
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -147.400474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.400474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.400474 (E_RNA)
where:
Base-Base interactions energy: -83.525
where: short stacking energy: -39.200
Base-Backbone interact. energy: 1.306
local terms energy: -65.182286
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -13.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -109.434091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.434091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.434091 (E_RNA)
where:
Base-Base interactions energy: -50.290
where: short stacking energy: -39.805
Base-Backbone interact. energy: 0.481
local terms energy: -59.625608
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -88.248501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.248501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.248501 (E_RNA)
where:
Base-Base interactions energy: -31.557
where: short stacking energy: -22.577
Base-Backbone interact. energy: -0.607
local terms energy: -56.084737
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -94.601719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.601719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.601719 (E_RNA)
where:
Base-Base interactions energy: -39.496
where: short stacking energy: -38.376
Base-Backbone interact. energy: 0.805
local terms energy: -55.911195
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -87.561593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.561593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.561593 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -31.132
Base-Backbone interact. energy: 0.707
local terms energy: -51.034784
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -78.281630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.281630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.281630 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -26.156
Base-Backbone interact. energy: -0.208
local terms energy: -45.818807
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -219.559235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.559235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.559235 (E_RNA)
where:
Base-Base interactions energy: -136.883
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.156
local terms energy: -82.520102
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -217.655823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.655823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.655823 (E_RNA)
where:
Base-Base interactions energy: -134.927
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.037
local terms energy: -82.692103
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -221.315872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.315872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.315872 (E_RNA)
where:
Base-Base interactions energy: -141.996
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.471
local terms energy: -78.849445
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -205.453370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.453370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.453370 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.751
local terms energy: -75.680735
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -154.691193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.691193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.691193 (E_RNA)
where:
Base-Base interactions energy: -87.546
where: short stacking energy: -46.696
Base-Backbone interact. energy: -0.241
local terms energy: -66.904214
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -100.145928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.145928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.145928 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -35.397
Base-Backbone interact. energy: -0.006
local terms energy: -64.743106
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -101.474125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.474125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.474125 (E_RNA)
where:
Base-Base interactions energy: -41.390
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.031
local terms energy: -60.053211
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -112.247513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.247513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.247513 (E_RNA)
where:
Base-Base interactions energy: -48.049
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.260
local terms energy: -63.938791
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -105.331707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.331707 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.958
local terms energy: -66.563308
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -93.952674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.952674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.952674 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -36.946
Base-Backbone interact. energy: -0.246
local terms energy: -52.593318
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -223.787721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.787721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.787721 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -71.683
Base-Backbone interact. energy: -1.443
local terms energy: -81.044597
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -209.358739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.358739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.358739 (E_RNA)
where:
Base-Base interactions energy: -136.641
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.750
local terms energy: -71.968727
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -218.126404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.126404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126404 (E_RNA)
where:
Base-Base interactions energy: -143.828
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.050
local terms energy: -74.248354
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -204.562889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.562889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.562889 (E_RNA)
where:
Base-Base interactions energy: -133.590
where: short stacking energy: -63.433
Base-Backbone interact. energy: -0.415
local terms energy: -70.557977
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -157.099997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.099997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.099997 (E_RNA)
where:
Base-Base interactions energy: -88.899
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.229
local terms energy: -67.972484
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -110.307054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.307054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.307054 (E_RNA)
where:
Base-Base interactions energy: -44.310
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.154
local terms energy: -65.842844
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -93.430516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.430516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.430516 (E_RNA)
where:
Base-Base interactions energy: -37.826
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.278
local terms energy: -55.326270
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -94.595690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.595690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.595690 (E_RNA)
where:
Base-Base interactions energy: -47.084
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.204
local terms energy: -47.307585
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -97.558897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.558897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.558897 (E_RNA)
where:
Base-Base interactions energy: -35.798
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.707
local terms energy: -61.054575
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -81.472088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.472088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.472088 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -21.014
Base-Backbone interact. energy: -0.054
local terms energy: -48.547092
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -221.149137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.149137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.149137 (E_RNA)
where:
Base-Base interactions energy: -136.465
where: short stacking energy: -66.628
Base-Backbone interact. energy: 0.116
local terms energy: -84.799533
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -222.820799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.820799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820799 (E_RNA)
where:
Base-Base interactions energy: -146.902
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.092
local terms energy: -75.826416
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -208.636682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.636682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.636682 (E_RNA)
where:
Base-Base interactions energy: -125.320
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.044
local terms energy: -83.272151
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -201.123290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.123290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.123290 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -54.975
Base-Backbone interact. energy: -1.134
local terms energy: -77.254196
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -143.798735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.798735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.798735 (E_RNA)
where:
Base-Base interactions energy: -81.600
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.729
local terms energy: -61.469771
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -98.161417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.161417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.161417 (E_RNA)
where:
Base-Base interactions energy: -41.790
where: short stacking energy: -31.859
Base-Backbone interact. energy: 0.539
local terms energy: -56.910674
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -91.642709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.642709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.642709 (E_RNA)
where:
Base-Base interactions energy: -33.943
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.063
local terms energy: -57.636232
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -85.690034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690034 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -32.739
Base-Backbone interact. energy: -0.106
local terms energy: -52.693869
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -91.823698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823698 (E_RNA)
where:
Base-Base interactions energy: -43.098
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.163
local terms energy: -48.562661
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -77.618459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.618459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.618459 (E_RNA)
where:
Base-Base interactions energy: -23.461
where: short stacking energy: -19.644
Base-Backbone interact. energy: -0.379
local terms energy: -53.778079
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -233.198283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.198283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.198283 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -64.390
Base-Backbone interact. energy: -0.038
local terms energy: -79.178474
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -207.447244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.447244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.447244 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.050
local terms energy: -77.835336
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -205.931372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.931372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.931372 (E_RNA)
where:
Base-Base interactions energy: -137.773
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.121
local terms energy: -68.037273
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -202.286554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.286554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.286554 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -58.834
Base-Backbone interact. energy: -0.262
local terms energy: -77.364649
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -147.203003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.203003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.203003 (E_RNA)
where:
Base-Base interactions energy: -85.097
where: short stacking energy: -50.073
Base-Backbone interact. energy: -0.094
local terms energy: -62.012579
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -109.759923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.759923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.759923 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -46.340
Base-Backbone interact. energy: -2.460
local terms energy: -53.459598
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -100.530713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.530713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.530713 (E_RNA)
where:
Base-Base interactions energy: -33.857
where: short stacking energy: -27.385
Base-Backbone interact. energy: 0.101
local terms energy: -66.774880
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -92.854252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.854252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.854252 (E_RNA)
where:
Base-Base interactions energy: -33.901
where: short stacking energy: -30.531
Base-Backbone interact. energy: 0.280
local terms energy: -59.233892
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -79.919724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.919724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.919724 (E_RNA)
where:
Base-Base interactions energy: -29.003
where: short stacking energy: -25.635
Base-Backbone interact. energy: 0.410
local terms energy: -51.326532
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -80.761123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.761123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.761123 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -27.145
Base-Backbone interact. energy: -0.095
local terms energy: -51.884357
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -231.038738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.038738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.038738 (E_RNA)
where:
Base-Base interactions energy: -148.283
where: short stacking energy: -78.593
Base-Backbone interact. energy: -0.566
local terms energy: -82.190137
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -214.720982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.720982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.720982 (E_RNA)
where:
Base-Base interactions energy: -131.941
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.779
local terms energy: -82.001317
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -206.816566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.816566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.816566 (E_RNA)
where:
Base-Base interactions energy: -123.398
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.826
local terms energy: -82.592936
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -201.710347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.710347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.710347 (E_RNA)
where:
Base-Base interactions energy: -123.669
where: short stacking energy: -50.463
Base-Backbone interact. energy: -0.068
local terms energy: -77.972850
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -157.438866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.438866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.438866 (E_RNA)
where:
Base-Base interactions energy: -103.103
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.121
local terms energy: -54.214217
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -7.727
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -95.223334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223334 (E_RNA)
where:
Base-Base interactions energy: -31.693
where: short stacking energy: -27.611
Base-Backbone interact. energy: 0.575
local terms energy: -64.105856
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -89.403450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403450 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -33.993
Base-Backbone interact. energy: -0.245
local terms energy: -54.187087
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -83.060697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.060697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.060697 (E_RNA)
where:
Base-Base interactions energy: -28.021
where: short stacking energy: -22.315
Base-Backbone interact. energy: -0.499
local terms energy: -54.540198
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: 4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -77.942804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.942804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.942804 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.246
local terms energy: -40.507890
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -1.269
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -76.622662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.622662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.622662 (E_RNA)
where:
Base-Base interactions energy: -22.886
where: short stacking energy: -12.421
Base-Backbone interact. energy: -0.176
local terms energy: -53.560187
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -227.443085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.443085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.443085 (E_RNA)
where:
Base-Base interactions energy: -149.919
where: short stacking energy: -70.878
Base-Backbone interact. energy: -0.009
local terms energy: -77.515153
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -217.079017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.079017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.079017 (E_RNA)
where:
Base-Base interactions energy: -138.382
where: short stacking energy: -73.690
Base-Backbone interact. energy: -0.022
local terms energy: -78.675368
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -208.911268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.911268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.911268 (E_RNA)
where:
Base-Base interactions energy: -135.641
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.002
local terms energy: -73.269162
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -209.531943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.531943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.531943 (E_RNA)
where:
Base-Base interactions energy: -135.558
where: short stacking energy: -63.633
Base-Backbone interact. energy: -0.019
local terms energy: -73.955059
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -154.154491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.154491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.154491 (E_RNA)
where:
Base-Base interactions energy: -89.485
where: short stacking energy: -49.193
Base-Backbone interact. energy: -0.042
local terms energy: -64.627471
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -112.214938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.214938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.214938 (E_RNA)
where:
Base-Base interactions energy: -43.778
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.817
local terms energy: -67.619401
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -107.681623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.681623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.681623 (E_RNA)
where:
Base-Base interactions energy: -48.291
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.036
local terms energy: -59.355144
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -93.269292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269292 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.126
local terms energy: -54.585321
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -82.026710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.026710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.026710 (E_RNA)
where:
Base-Base interactions energy: -24.116
where: short stacking energy: -24.116
Base-Backbone interact. energy: -0.335
local terms energy: -57.575871
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -90.740408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.740408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.740408 (E_RNA)
where:
Base-Base interactions energy: -39.926
where: short stacking energy: -32.771
Base-Backbone interact. energy: -0.191
local terms energy: -50.623655
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -224.701114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.701114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.701114 (E_RNA)
where:
Base-Base interactions energy: -144.666
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.259
local terms energy: -79.775448
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -209.382076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.382076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.382076 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.007
local terms energy: -74.543099
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -208.677184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.677184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.677184 (E_RNA)
where:
Base-Base interactions energy: -138.527
where: short stacking energy: -60.618
Base-Backbone interact. energy: -0.646
local terms energy: -69.504483
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -207.700857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.700857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.700857 (E_RNA)
where:
Base-Base interactions energy: -128.683
where: short stacking energy: -61.254
Base-Backbone interact. energy: -1.751
local terms energy: -77.267191
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -188.673908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.673908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.673908 (E_RNA)
where:
Base-Base interactions energy: -121.417
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.426
local terms energy: -66.831610
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -106.245947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.245947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.245947 (E_RNA)
where:
Base-Base interactions energy: -51.599
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.074
local terms energy: -54.572725
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -91.524093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.524093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.524093 (E_RNA)
where:
Base-Base interactions energy: -36.692
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.413
local terms energy: -54.418566
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -95.571234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571234 (E_RNA)
where:
Base-Base interactions energy: -41.853
where: short stacking energy: -40.275
Base-Backbone interact. energy: -0.012
local terms energy: -53.706275
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -1.166
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -89.164028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.164028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.164028 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.023
local terms energy: -50.712837
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -74.142583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.142583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.142583 (E_RNA)
where:
Base-Base interactions energy: -24.583
where: short stacking energy: -20.053
Base-Backbone interact. energy: -0.404
local terms energy: -49.154798
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -233.835610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.835610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.835610 (E_RNA)
where:
Base-Base interactions energy: -148.966
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.000
local terms energy: -84.869380
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -212.525635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.525635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.525635 (E_RNA)
where:
Base-Base interactions energy: -138.376
where: short stacking energy: -67.241
Base-Backbone interact. energy: -0.245
local terms energy: -73.905297
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -217.856978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.856978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.856978 (E_RNA)
where:
Base-Base interactions energy: -139.661
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.054
local terms energy: -78.141680
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -179.757030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.757030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.757030 (E_RNA)
where:
Base-Base interactions energy: -110.107
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.138
local terms energy: -69.512461
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -136.399745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.399745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.399745 (E_RNA)
where:
Base-Base interactions energy: -68.933
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.681
local terms energy: -66.785453
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -109.229994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.229994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.229994 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.024
local terms energy: -65.738314
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -102.927292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927292 (E_RNA)
where:
Base-Base interactions energy: -50.267
where: short stacking energy: -35.497
Base-Backbone interact. energy: -0.234
local terms energy: -52.426376
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -0.952
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -87.858821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.858821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.858821 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.056
local terms energy: -57.924837
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -77.812784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.812784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.812784 (E_RNA)
where:
Base-Base interactions energy: -36.708
where: short stacking energy: -31.230
Base-Backbone interact. energy: 1.255
local terms energy: -42.359178
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: 2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -78.315262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.315262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.315262 (E_RNA)
where:
Base-Base interactions energy: -35.558
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.025
local terms energy: -42.731595
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -6.462
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -229.077987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.077987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.077987 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -70.597
Base-Backbone interact. energy: -0.222
local terms energy: -82.398980
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -218.527071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.527071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.527071 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.032
local terms energy: -82.707906
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -195.972549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.972549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.972549 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -55.536
Base-Backbone interact. energy: -0.790
local terms energy: -72.625242
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -179.479542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.479542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.479542 (E_RNA)
where:
Base-Base interactions energy: -112.687
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.160
local terms energy: -66.631758
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -108.721971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.721971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.721971 (E_RNA)
where:
Base-Base interactions energy: -49.742
where: short stacking energy: -40.810
Base-Backbone interact. energy: -0.173
local terms energy: -58.807227
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -115.209821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.209821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.209821 (E_RNA)
where:
Base-Base interactions energy: -48.414
where: short stacking energy: -45.593
Base-Backbone interact. energy: -0.037
local terms energy: -66.759029
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -94.370496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.370496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.370496 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.210
local terms energy: -57.456752
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -90.732230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.732230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.732230 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.206
local terms energy: -56.812234
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -92.356982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.356982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.356982 (E_RNA)
where:
Base-Base interactions energy: -46.042
where: short stacking energy: -38.814
Base-Backbone interact. energy: 0.300
local terms energy: -46.614734
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -77.948864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.948864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.948864 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -30.101
Base-Backbone interact. energy: -0.030
local terms energy: -47.818481
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -211.703948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703948 (E_RNA)
where:
Base-Base interactions energy: -134.116
where: short stacking energy: -52.442
Base-Backbone interact. energy: -0.551
local terms energy: -77.036485
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -222.331962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.331962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.331962 (E_RNA)
where:
Base-Base interactions energy: -149.059
where: short stacking energy: -67.309
Base-Backbone interact. energy: -0.427
local terms energy: -72.845743
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -211.817750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.817750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.817750 (E_RNA)
where:
Base-Base interactions energy: -132.445
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.486
local terms energy: -78.886970
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -168.722212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.722212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.722212 (E_RNA)
where:
Base-Base interactions energy: -101.537
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.012
local terms energy: -67.173967
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -114.134537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.134537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.134537 (E_RNA)
where:
Base-Base interactions energy: -48.593
where: short stacking energy: -44.026
Base-Backbone interact. energy: -0.037
local terms energy: -65.504518
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -104.703787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.703787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.703787 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -42.011
Base-Backbone interact. energy: -0.052
local terms energy: -61.504676
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -86.685585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.685585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.685585 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -31.829
Base-Backbone interact. energy: -0.187
local terms energy: -49.805437
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -104.684656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.684656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.684656 (E_RNA)
where:
Base-Base interactions energy: -43.369
where: short stacking energy: -37.283
Base-Backbone interact. energy: -1.055
local terms energy: -60.260842
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -94.175273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.175273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.175273 (E_RNA)
where:
Base-Base interactions energy: -27.406
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.368
local terms energy: -66.401777
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -75.704592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.704592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.704592 (E_RNA)
where:
Base-Base interactions energy: -28.296
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.141
local terms energy: -47.266645
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -226.760045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.760045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.760045 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.005
local terms energy: -74.791252
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -216.575606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.575606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.575606 (E_RNA)
where:
Base-Base interactions energy: -136.429
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.002
local terms energy: -80.145397
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -24.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -214.801294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801294 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.002
local terms energy: -77.034311
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -195.719280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719280 (E_RNA)
where:
Base-Base interactions energy: -123.464
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.045
local terms energy: -72.210031
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -108.878515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.878515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.878515 (E_RNA)
where:
Base-Base interactions energy: -49.789
where: short stacking energy: -47.785
Base-Backbone interact. energy: -0.402
local terms energy: -58.687491
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -94.444551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.444551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.444551 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -41.623
Base-Backbone interact. energy: -0.278
local terms energy: -48.692855
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -101.507713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.507713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.507713 (E_RNA)
where:
Base-Base interactions energy: -48.349
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.226
local terms energy: -52.932994
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -92.183537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.183537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.183537 (E_RNA)
where:
Base-Base interactions energy: -46.426
where: short stacking energy: -28.455
Base-Backbone interact. energy: -0.555
local terms energy: -45.203265
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -92.842076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.842076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.842076 (E_RNA)
where:
Base-Base interactions energy: -37.790
where: short stacking energy: -31.301
Base-Backbone interact. energy: -0.119
local terms energy: -54.933619
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -79.533033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.533033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.533033 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.139
local terms energy: -48.811587
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -219.690459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690459 (E_RNA)
where:
Base-Base interactions energy: -135.275
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.019
local terms energy: -84.397111
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -214.497789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.497789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.497789 (E_RNA)
where:
Base-Base interactions energy: -133.585
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.063
local terms energy: -80.849322
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -206.425901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.425901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.425901 (E_RNA)
where:
Base-Base interactions energy: -133.978
where: short stacking energy: -60.544
Base-Backbone interact. energy: 0.789
local terms energy: -73.236535
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -206.451347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.451347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.451347 (E_RNA)
where:
Base-Base interactions energy: -140.706
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.110
local terms energy: -65.634846
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -101.970812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.970812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.970812 (E_RNA)
where:
Base-Base interactions energy: -51.754
where: short stacking energy: -42.453
Base-Backbone interact. energy: -0.189
local terms energy: -50.027065
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -89.415536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415536 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -30.154
Base-Backbone interact. energy: -0.147
local terms energy: -58.134087
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -84.045718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.045718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.045718 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.133
local terms energy: -52.665255
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -85.737553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.737553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.737553 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -22.930
Base-Backbone interact. energy: 0.869
local terms energy: -45.509882
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.370914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.370914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.370914 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.186
local terms energy: -49.956049
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.896608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.896608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.896608 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -26.875
Base-Backbone interact. energy: 0.528
local terms energy: -49.762872
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -213.796183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.796183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.796183 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.000
local terms energy: -82.324284
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -209.023873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.023873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.023873 (E_RNA)
where:
Base-Base interactions energy: -130.326
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.133
local terms energy: -78.564118
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -192.500164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.500164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.500164 (E_RNA)
where:
Base-Base interactions energy: -120.018
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.037
local terms energy: -72.445667
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -16.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -194.050904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.050904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.050904 (E_RNA)
where:
Base-Base interactions energy: -121.515
where: short stacking energy: -56.890
Base-Backbone interact. energy: -0.101
local terms energy: -72.435252
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -105.606268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.606268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.606268 (E_RNA)
where:
Base-Base interactions energy: -49.695
where: short stacking energy: -33.985
Base-Backbone interact. energy: -0.111
local terms energy: -55.799957
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -105.253155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.253155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.253155 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -38.497
Base-Backbone interact. energy: -0.069
local terms energy: -59.301408
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -95.101485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101485 (E_RNA)
where:
Base-Base interactions energy: -35.936
where: short stacking energy: -32.432
Base-Backbone interact. energy: 1.860
local terms energy: -61.024851
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -94.832205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.832205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.832205 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -25.826
Base-Backbone interact. energy: -0.351
local terms energy: -54.497349
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -81.544849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544849 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -30.927
Base-Backbone interact. energy: -0.091
local terms energy: -50.526794
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -5.051
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -79.570154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.570154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.570154 (E_RNA)
where:
Base-Base interactions energy: -25.742
where: short stacking energy: -22.981
Base-Backbone interact. energy: 0.621
local terms energy: -54.448739
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -220.839967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.839967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.839967 (E_RNA)
where:
Base-Base interactions energy: -143.783
where: short stacking energy: -66.535
Base-Backbone interact. energy: -0.002
local terms energy: -77.055454
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -205.771430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.771430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.771430 (E_RNA)
where:
Base-Base interactions energy: -129.197
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.042
local terms energy: -76.532909
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -215.215201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.215201 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.056
local terms energy: -73.678644
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -172.466138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.466138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.466138 (E_RNA)
where:
Base-Base interactions energy: -103.122
where: short stacking energy: -54.076
Base-Backbone interact. energy: -0.081
local terms energy: -69.263941
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -110.783039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.783039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.783039 (E_RNA)
where:
Base-Base interactions energy: -46.680
where: short stacking energy: -43.648
Base-Backbone interact. energy: 1.047
local terms energy: -65.150222
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -107.749697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.749697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.749697 (E_RNA)
where:
Base-Base interactions energy: -54.335
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.217
local terms energy: -53.198471
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -101.333518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.333518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.333518 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -44.454
Base-Backbone interact. energy: -0.087
local terms energy: -56.405709
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -91.188443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188443 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -33.975
Base-Backbone interact. energy: -0.174
local terms energy: -56.768169
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -87.598864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598864 (E_RNA)
where:
Base-Base interactions energy: -34.857
where: short stacking energy: -24.046
Base-Backbone interact. energy: 0.001
local terms energy: -52.743692
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -76.859741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.859741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.859741 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -33.225
Base-Backbone interact. energy: 2.478
local terms energy: -40.497388
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -214.583099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.583099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.583099 (E_RNA)
where:
Base-Base interactions energy: -137.275
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.051
local terms energy: -77.256687
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -208.844977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.844977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.844977 (E_RNA)
where:
Base-Base interactions energy: -127.683
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.018
local terms energy: -81.143383
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -218.180820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.180820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.180820 (E_RNA)
where:
Base-Base interactions energy: -138.069
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.014
local terms energy: -80.097897
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -207.095165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095165 (E_RNA)
where:
Base-Base interactions energy: -127.795
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.000
local terms energy: -79.299829
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -130.475622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.475622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.475622 (E_RNA)
where:
Base-Base interactions energy: -57.883
where: short stacking energy: -38.414
Base-Backbone interact. energy: -0.272
local terms energy: -72.320237
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -109.768976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.768976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.768976 (E_RNA)
where:
Base-Base interactions energy: -58.533
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.250
local terms energy: -50.985976
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -96.929588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.929588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.929588 (E_RNA)
where:
Base-Base interactions energy: -42.366
where: short stacking energy: -27.376
Base-Backbone interact. energy: 1.277
local terms energy: -55.840778
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -108.030253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.030253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.030253 (E_RNA)
where:
Base-Base interactions energy: -46.772
where: short stacking energy: -37.456
Base-Backbone interact. energy: -0.359
local terms energy: -60.898613
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -81.759821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.759821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.759821 (E_RNA)
where:
Base-Base interactions energy: -30.633
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.121
local terms energy: -51.006016
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.766343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766343 (E_RNA)
where:
Base-Base interactions energy: -30.538
where: short stacking energy: -28.490
Base-Backbone interact. energy: -0.894
local terms energy: -54.334501
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -218.748935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.748935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.748935 (E_RNA)
where:
Base-Base interactions energy: -137.859
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.009
local terms energy: -80.881167
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -215.163098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.163098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.163098 (E_RNA)
where:
Base-Base interactions energy: -134.462
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.294
local terms energy: -80.407509
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -217.032960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.032960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.032960 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.032
local terms energy: -77.853972
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -191.832108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.832108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.832108 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -70.023
Base-Backbone interact. energy: -0.188
local terms energy: -76.026076
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -121.551735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.551735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.551735 (E_RNA)
where:
Base-Base interactions energy: -50.574
where: short stacking energy: -33.621
Base-Backbone interact. energy: -0.757
local terms energy: -70.220251
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -109.989782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.989782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.989782 (E_RNA)
where:
Base-Base interactions energy: -49.895
where: short stacking energy: -42.350
Base-Backbone interact. energy: -0.021
local terms energy: -60.073553
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -100.756036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.756036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.756036 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -38.258
Base-Backbone interact. energy: -0.207
local terms energy: -59.333752
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -88.946458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.946458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.946458 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -31.681
Base-Backbone interact. energy: 1.981
local terms energy: -57.144885
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -92.697795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.697795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.697795 (E_RNA)
where:
Base-Base interactions energy: -40.398
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.103
local terms energy: -52.196511
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -102.747748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747748 (E_RNA)
where:
Base-Base interactions energy: -52.741
where: short stacking energy: -50.693
Base-Backbone interact. energy: -0.112
local terms energy: -49.894300
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -220.780109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.780109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.780109 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.613
local terms energy: -82.353102
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -214.365215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.365215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.365215 (E_RNA)
where:
Base-Base interactions energy: -135.821
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.052
local terms energy: -78.491363
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -206.880114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.880114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.880114 (E_RNA)
where:
Base-Base interactions energy: -127.794
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.530
local terms energy: -78.556602
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -189.822287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.822287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.822287 (E_RNA)
where:
Base-Base interactions energy: -106.395
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.062
local terms energy: -83.364793
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -101.017493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.017493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.017493 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.168
local terms energy: -67.182676
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -107.306016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.306016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.306016 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.004
local terms energy: -64.468787
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -103.322145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322145 (E_RNA)
where:
Base-Base interactions energy: -46.883
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.608
local terms energy: -55.831263
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -98.203353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.203353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.203353 (E_RNA)
where:
Base-Base interactions energy: -45.444
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.058
local terms energy: -52.701173
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -82.524011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.524011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.524011 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.168
local terms energy: -50.822727
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -74.562185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.562185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.562185 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.308
local terms energy: -45.907053
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: 3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -216.552148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.552148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.552148 (E_RNA)
where:
Base-Base interactions energy: -135.354
where: short stacking energy: -49.270
Base-Backbone interact. energy: -0.612
local terms energy: -80.586779
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -215.849649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.849649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.849649 (E_RNA)
where:
Base-Base interactions energy: -145.308
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.001
local terms energy: -70.540156
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -203.151189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.151189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.151189 (E_RNA)
where:
Base-Base interactions energy: -131.906
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.017
local terms energy: -71.228512
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -155.583938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.583938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.583938 (E_RNA)
where:
Base-Base interactions energy: -90.135
where: short stacking energy: -57.590
Base-Backbone interact. energy: -0.736
local terms energy: -64.713203
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -110.160533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.160533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.160533 (E_RNA)
where:
Base-Base interactions energy: -49.576
where: short stacking energy: -30.687
Base-Backbone interact. energy: 0.285
local terms energy: -60.869511
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -101.445228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.445228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.445228 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -42.073
Base-Backbone interact. energy: 0.122
local terms energy: -59.493874
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -89.544062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.544062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.544062 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.402
local terms energy: -53.673857
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -93.041610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041610 (E_RNA)
where:
Base-Base interactions energy: -43.024
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.116
local terms energy: -49.902166
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -77.645466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.645466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.645466 (E_RNA)
where:
Base-Base interactions energy: -25.623
where: short stacking energy: -9.684
Base-Backbone interact. energy: -0.014
local terms energy: -52.008430
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -75.277283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.277283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.277283 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -27.943
Base-Backbone interact. energy: 0.867
local terms energy: -43.309768
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: 1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -217.094399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.094399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.094399 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.156
local terms energy: -79.119321
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -208.941963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.941963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.941963 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -57.985
Base-Backbone interact. energy: -0.008
local terms energy: -79.041266
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -207.251290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.251290 (E_RNA)
where:
Base-Base interactions energy: -130.407
where: short stacking energy: -65.111
Base-Backbone interact. energy: -0.867
local terms energy: -75.977298
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -123.884446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.884446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.884446 (E_RNA)
where:
Base-Base interactions energy: -55.537
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.145
local terms energy: -68.203182
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -140.601935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.601935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.601935 (E_RNA)
where:
Base-Base interactions energy: -82.406
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.154
local terms energy: -58.041883
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -99.673429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.673429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.673429 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -37.798
Base-Backbone interact. energy: -0.900
local terms energy: -60.244942
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -95.066350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.066350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.066350 (E_RNA)
where:
Base-Base interactions energy: -37.119
where: short stacking energy: -35.625
Base-Backbone interact. energy: -0.065
local terms energy: -57.882091
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -98.413472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413472 (E_RNA)
where:
Base-Base interactions energy: -47.011
where: short stacking energy: -31.326
Base-Backbone interact. energy: -0.106
local terms energy: -51.296359
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -87.765434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.765434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.765434 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.183
local terms energy: -53.891582
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: 4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -84.430314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430314 (E_RNA)
where:
Base-Base interactions energy: -32.598
where: short stacking energy: -32.598
Base-Backbone interact. energy: -0.156
local terms energy: -51.675994
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -215.971302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.971302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.971302 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.005
local terms energy: -79.562176
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -221.421432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.421432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.421432 (E_RNA)
where:
Base-Base interactions energy: -141.925
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.448
local terms energy: -79.048273
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -23.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -202.421736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.421736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.421736 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.012
local terms energy: -76.773274
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -122.717674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.717674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.717674 (E_RNA)
where:
Base-Base interactions energy: -51.641
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.034
local terms energy: -71.043185
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -141.374925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.374925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.374925 (E_RNA)
where:
Base-Base interactions energy: -82.292
where: short stacking energy: -43.228
Base-Backbone interact. energy: -0.193
local terms energy: -58.889747
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -92.063969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.063969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.063969 (E_RNA)
where:
Base-Base interactions energy: -37.989
where: short stacking energy: -33.965
Base-Backbone interact. energy: -0.364
local terms energy: -53.710587
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -93.691801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.691801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.691801 (E_RNA)
where:
Base-Base interactions energy: -34.072
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.090
local terms energy: -59.529540
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -93.861320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.861320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.861320 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -34.276
Base-Backbone interact. energy: -0.165
local terms energy: -59.419519
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -93.534225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.534225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.534225 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.015
local terms energy: -62.657209
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -82.814092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.814092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.814092 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.006
local terms energy: -50.244213
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -212.701695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.701695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701695 (E_RNA)
where:
Base-Base interactions energy: -130.007
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.341
local terms energy: -82.353353
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -224.795977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.795977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.795977 (E_RNA)
where:
Base-Base interactions energy: -137.067
where: short stacking energy: -66.414
Base-Backbone interact. energy: -0.002
local terms energy: -87.727088
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -210.192170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.192170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.192170 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.470
local terms energy: -75.537070
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -142.176632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.176632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.176632 (E_RNA)
where:
Base-Base interactions energy: -79.865
where: short stacking energy: -39.741
Base-Backbone interact. energy: -0.204
local terms energy: -62.108606
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -120.678316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.678316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.678316 (E_RNA)
where:
Base-Base interactions energy: -67.467
where: short stacking energy: -30.638
Base-Backbone interact. energy: -0.416
local terms energy: -52.795143
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -102.947584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947584 (E_RNA)
where:
Base-Base interactions energy: -48.233
where: short stacking energy: -48.233
Base-Backbone interact. energy: -0.236
local terms energy: -54.479260
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -86.857643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857643 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -30.037
Base-Backbone interact. energy: 0.274
local terms energy: -52.764357
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -88.924231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.924231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.924231 (E_RNA)
where:
Base-Base interactions energy: -36.481
where: short stacking energy: -27.543
Base-Backbone interact. energy: 0.038
local terms energy: -52.481705
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -103.782150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.782150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.782150 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -42.716
Base-Backbone interact. energy: -0.001
local terms energy: -61.065243
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -74.667344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.667344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.667344 (E_RNA)
where:
Base-Base interactions energy: -20.291
where: short stacking energy: -20.291
Base-Backbone interact. energy: -0.200
local terms energy: -54.176558
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -216.248409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.248409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.248409 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.181
local terms energy: -79.661181
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -212.596119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.596119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.596119 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -59.480
Base-Backbone interact. energy: -0.071
local terms energy: -81.264276
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -201.993194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.993194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.993194 (E_RNA)
where:
Base-Base interactions energy: -133.385
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.008
local terms energy: -68.600009
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -157.173156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.173156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.173156 (E_RNA)
where:
Base-Base interactions energy: -93.056
where: short stacking energy: -43.994
Base-Backbone interact. energy: -1.174
local terms energy: -62.943279
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -167.781452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781452 (E_RNA)
where:
Base-Base interactions energy: -96.408
where: short stacking energy: -46.512
Base-Backbone interact. energy: -0.153
local terms energy: -71.219741
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -109.951169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.951169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.951169 (E_RNA)
where:
Base-Base interactions energy: -48.690
where: short stacking energy: -38.997
Base-Backbone interact. energy: -0.769
local terms energy: -60.492980
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -96.572778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572778 (E_RNA)
where:
Base-Base interactions energy: -38.304
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.022
local terms energy: -58.247122
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -82.650661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.650661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.650661 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -27.721
Base-Backbone interact. energy: 0.003
local terms energy: -54.599853
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -78.437002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.437002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.437002 (E_RNA)
where:
Base-Base interactions energy: -26.576
where: short stacking energy: -26.179
Base-Backbone interact. energy: -0.163
local terms energy: -51.697850
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -78.133443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.133443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.133443 (E_RNA)
where:
Base-Base interactions energy: -27.792
where: short stacking energy: -25.815
Base-Backbone interact. energy: -0.030
local terms energy: -50.311293
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -222.262391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.262391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.262391 (E_RNA)
where:
Base-Base interactions energy: -137.277
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.065
local terms energy: -84.919449
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -208.244147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.244147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.244147 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -78.834
Base-Backbone interact. energy: -0.362
local terms energy: -75.376040
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -215.812984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.812984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.812984 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.599
local terms energy: -78.264625
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -173.243380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.243380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.243380 (E_RNA)
where:
Base-Base interactions energy: -107.288
where: short stacking energy: -52.048
Base-Backbone interact. energy: 0.075
local terms energy: -66.030251
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -148.509916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.509916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.509916 (E_RNA)
where:
Base-Base interactions energy: -85.079
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.351
local terms energy: -63.079678
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -95.061632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.061632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.061632 (E_RNA)
where:
Base-Base interactions energy: -42.543
where: short stacking energy: -38.968
Base-Backbone interact. energy: -0.101
local terms energy: -52.417470
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -110.083737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.083737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.083737 (E_RNA)
where:
Base-Base interactions energy: -48.585
where: short stacking energy: -44.191
Base-Backbone interact. energy: -0.030
local terms energy: -61.468569
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -83.880482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.880482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.880482 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -22.939
Base-Backbone interact. energy: -0.460
local terms energy: -55.657647
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -76.513743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.513743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.513743 (E_RNA)
where:
Base-Base interactions energy: -24.345
where: short stacking energy: -24.345
Base-Backbone interact. energy: -0.537
local terms energy: -51.631912
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -80.748106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.748106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.748106 (E_RNA)
where:
Base-Base interactions energy: -28.263
where: short stacking energy: -21.063
Base-Backbone interact. energy: -0.120
local terms energy: -52.365747
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: 3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -221.952545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.952545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.952545 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -80.014
Base-Backbone interact. energy: -0.013
local terms energy: -80.587974
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -24.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -220.413661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413661 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.446
local terms energy: -79.255495
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -210.889731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.889731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.889731 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.100
local terms energy: -79.528709
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -174.014161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014161 (E_RNA)
where:
Base-Base interactions energy: -101.200
where: short stacking energy: -53.950
Base-Backbone interact. energy: -0.022
local terms energy: -72.792967
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -140.969934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.969934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.969934 (E_RNA)
where:
Base-Base interactions energy: -85.153
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.328
local terms energy: -55.488423
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -97.762173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.762173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.762173 (E_RNA)
where:
Base-Base interactions energy: -39.855
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.217
local terms energy: -57.690760
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -104.139143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.139143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.139143 (E_RNA)
where:
Base-Base interactions energy: -48.971
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.068
local terms energy: -55.100102
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -90.656002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.656002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.656002 (E_RNA)
where:
Base-Base interactions energy: -40.561
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.744
local terms energy: -49.350843
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -81.654118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654118 (E_RNA)
where:
Base-Base interactions energy: -27.287
where: short stacking energy: -24.944
Base-Backbone interact. energy: -0.294
local terms energy: -54.073304
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -93.067087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.067087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.067087 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.006
local terms energy: -54.648846
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -220.272061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.272061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.272061 (E_RNA)
where:
Base-Base interactions energy: -140.404
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.009
local terms energy: -79.859265
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -213.662205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.662205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.662205 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.004
local terms energy: -82.494450
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -214.339589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.339589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.339589 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.449
local terms energy: -80.019724
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -160.225586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.225586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.225586 (E_RNA)
where:
Base-Base interactions energy: -100.024
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.275
local terms energy: -59.927232
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -131.474331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.474331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.474331 (E_RNA)
where:
Base-Base interactions energy: -59.362
where: short stacking energy: -50.809
Base-Backbone interact. energy: -0.520
local terms energy: -71.591903
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -110.138997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.138997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.138997 (E_RNA)
where:
Base-Base interactions energy: -49.803
where: short stacking energy: -43.737
Base-Backbone interact. energy: -0.011
local terms energy: -60.325056
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -85.075369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.075369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.075369 (E_RNA)
where:
Base-Base interactions energy: -26.363
where: short stacking energy: -24.937
Base-Backbone interact. energy: -0.772
local terms energy: -57.939991
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -84.604107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.604107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.604107 (E_RNA)
where:
Base-Base interactions energy: -22.250
where: short stacking energy: -18.530
Base-Backbone interact. energy: -0.122
local terms energy: -62.231792
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -85.673654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.673654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.673654 (E_RNA)
where:
Base-Base interactions energy: -42.078
where: short stacking energy: -32.105
Base-Backbone interact. energy: -0.089
local terms energy: -43.506601
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -85.636146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636146 (E_RNA)
where:
Base-Base interactions energy: -27.585
where: short stacking energy: -22.734
Base-Backbone interact. energy: -0.040
local terms energy: -58.011304
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -219.930781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.930781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.930781 (E_RNA)
where:
Base-Base interactions energy: -139.652
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.054
local terms energy: -80.224677
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -215.027917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.027917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.027917 (E_RNA)
where:
Base-Base interactions energy: -137.875
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.002
local terms energy: -77.150898
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -210.905066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.905066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.905066 (E_RNA)
where:
Base-Base interactions energy: -132.347
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.086
local terms energy: -78.472277
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -156.238098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.238098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.238098 (E_RNA)
where:
Base-Base interactions energy: -80.330
where: short stacking energy: -47.602
Base-Backbone interact. energy: -0.753
local terms energy: -75.155029
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -127.501437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.501437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.501437 (E_RNA)
where:
Base-Base interactions energy: -63.202
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.074
local terms energy: -64.225015
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -111.885023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.885023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.885023 (E_RNA)
where:
Base-Base interactions energy: -45.918
where: short stacking energy: -45.827
Base-Backbone interact. energy: -0.006
local terms energy: -65.960635
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -103.419435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.419435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.419435 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.049
local terms energy: -57.505484
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -80.750813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.750813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.750813 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -29.625
Base-Backbone interact. energy: -0.197
local terms energy: -48.894055
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -93.306729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.306729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.306729 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -33.155
Base-Backbone interact. energy: -0.361
local terms energy: -59.791216
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -81.041237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.041237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.041237 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -26.087
Base-Backbone interact. energy: 0.711
local terms energy: -51.340905
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: 0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -217.982291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.982291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.982291 (E_RNA)
where:
Base-Base interactions energy: -147.708
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.002
local terms energy: -70.272589
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -212.862236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.862236 (E_RNA)
where:
Base-Base interactions energy: -139.911
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.187
local terms energy: -72.764334
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -209.289066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.289066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.289066 (E_RNA)
where:
Base-Base interactions energy: -134.804
where: short stacking energy: -67.766
Base-Backbone interact. energy: -0.398
local terms energy: -74.086432
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -143.976293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.976293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.976293 (E_RNA)
where:
Base-Base interactions energy: -73.914
where: short stacking energy: -43.570
Base-Backbone interact. energy: 0.823
local terms energy: -70.886053
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -102.226278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226278 (E_RNA)
where:
Base-Base interactions energy: -45.275
where: short stacking energy: -29.474
Base-Backbone interact. energy: -0.198
local terms energy: -56.753724
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -102.927423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927423 (E_RNA)
where:
Base-Base interactions energy: -50.114
where: short stacking energy: -35.757
Base-Backbone interact. energy: 0.225
local terms energy: -53.038007
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -103.370084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.370084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.370084 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.479
local terms energy: -61.728190
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -102.369583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.369583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.369583 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.094
local terms energy: -60.121890
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -86.077922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077922 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.306
local terms energy: -52.323350
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -79.294456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.294456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.294456 (E_RNA)
where:
Base-Base interactions energy: -27.442
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.783
local terms energy: -51.069873
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -220.710700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.710700 (E_RNA)
where:
Base-Base interactions energy: -146.072
where: short stacking energy: -72.237
Base-Backbone interact. energy: -0.024
local terms energy: -74.615386
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -215.154389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.154389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.154389 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.280
local terms energy: -77.964690
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -160.932538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.932538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.932538 (E_RNA)
where:
Base-Base interactions energy: -96.215
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.519
local terms energy: -64.197698
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -142.135309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.135309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.135309 (E_RNA)
where:
Base-Base interactions energy: -69.888
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.059
local terms energy: -72.187802
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -115.152012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.152012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.152012 (E_RNA)
where:
Base-Base interactions energy: -62.580
where: short stacking energy: -41.263
Base-Backbone interact. energy: -0.072
local terms energy: -52.500176
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -95.804352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.804352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.804352 (E_RNA)
where:
Base-Base interactions energy: -39.828
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.167
local terms energy: -55.809199
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -100.387088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.387088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.387088 (E_RNA)
where:
Base-Base interactions energy: -51.602
where: short stacking energy: -31.727
Base-Backbone interact. energy: -0.942
local terms energy: -47.842836
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -89.337686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337686 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -24.579
Base-Backbone interact. energy: -0.659
local terms energy: -49.430801
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -91.576424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.576424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.576424 (E_RNA)
where:
Base-Base interactions energy: -29.556
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.043
local terms energy: -61.977051
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -9.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -87.844982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.844982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.844982 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -32.719
Base-Backbone interact. energy: -0.096
local terms energy: -54.871660
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -228.916511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.916511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.916511 (E_RNA)
where:
Base-Base interactions energy: -144.943
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.002
local terms energy: -83.972122
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -216.406918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.406918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.406918 (E_RNA)
where:
Base-Base interactions energy: -134.141
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.899
local terms energy: -81.366327
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -193.114552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.114552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.114552 (E_RNA)
where:
Base-Base interactions energy: -111.986
where: short stacking energy: -63.554
Base-Backbone interact. energy: -0.007
local terms energy: -81.121635
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -142.414457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.414457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.414457 (E_RNA)
where:
Base-Base interactions energy: -80.861
where: short stacking energy: -45.442
Base-Backbone interact. energy: -0.279
local terms energy: -61.274373
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -114.963249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.963249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.963249 (E_RNA)
where:
Base-Base interactions energy: -58.782
where: short stacking energy: -38.229
Base-Backbone interact. energy: -0.142
local terms energy: -56.039227
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -148.989654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.989654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.989654 (E_RNA)
where:
Base-Base interactions energy: -84.450
where: short stacking energy: -44.544
Base-Backbone interact. energy: -2.264
local terms energy: -62.275051
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -89.488977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488977 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.056
local terms energy: -55.403424
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -91.183250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.183250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.183250 (E_RNA)
where:
Base-Base interactions energy: -40.046
where: short stacking energy: -40.046
Base-Backbone interact. energy: -0.097
local terms energy: -51.040283
where:
bonds (distance) C4'-P energy: -7.688
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -92.633545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.633545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.633545 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.121
local terms energy: -51.374437
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -82.401570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.401570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.401570 (E_RNA)
where:
Base-Base interactions energy: -31.006
where: short stacking energy: -31.006
Base-Backbone interact. energy: 1.887
local terms energy: -53.281972
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: 1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -224.505303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.505303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.505303 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -64.403
Base-Backbone interact. energy: -0.098
local terms energy: -78.092755
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -225.267495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.267495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.267495 (E_RNA)
where:
Base-Base interactions energy: -146.868
where: short stacking energy: -74.702
Base-Backbone interact. energy: -0.418
local terms energy: -77.981255
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -191.720483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.720483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.720483 (E_RNA)
where:
Base-Base interactions energy: -117.674
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.139
local terms energy: -73.907365
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -129.766678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.766678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.766678 (E_RNA)
where:
Base-Base interactions energy: -62.538
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.003
local terms energy: -67.225659
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -157.258414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.258414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.258414 (E_RNA)
where:
Base-Base interactions energy: -95.215
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.056
local terms energy: -61.987037
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -106.155108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.155108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.155108 (E_RNA)
where:
Base-Base interactions energy: -47.779
where: short stacking energy: -36.611
Base-Backbone interact. energy: -0.406
local terms energy: -57.969866
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -90.900034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900034 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.128
local terms energy: -53.265208
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -124.342986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.342986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.342986 (E_RNA)
where:
Base-Base interactions energy: -61.362
where: short stacking energy: -52.345
Base-Backbone interact. energy: -0.401
local terms energy: -62.580074
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -89.299099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299099 (E_RNA)
where:
Base-Base interactions energy: -35.658
where: short stacking energy: -28.123
Base-Backbone interact. energy: 1.505
local terms energy: -55.145423
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -76.846727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.846727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.846727 (E_RNA)
where:
Base-Base interactions energy: -26.102
where: short stacking energy: -26.102
Base-Backbone interact. energy: -0.093
local terms energy: -50.651285
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -225.911653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.911653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.911653 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.109
local terms energy: -80.580596
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -223.792662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.792662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.792662 (E_RNA)
where:
Base-Base interactions energy: -143.572
where: short stacking energy: -67.499
Base-Backbone interact. energy: -0.326
local terms energy: -79.895126
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -184.741567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.741567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.741567 (E_RNA)
where:
Base-Base interactions energy: -108.786
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.002
local terms energy: -75.953928
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -147.534556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.534556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.534556 (E_RNA)
where:
Base-Base interactions energy: -77.450
where: short stacking energy: -41.910
Base-Backbone interact. energy: 0.580
local terms energy: -70.664498
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -129.754030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.754030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.754030 (E_RNA)
where:
Base-Base interactions energy: -74.762
where: short stacking energy: -46.318
Base-Backbone interact. energy: -0.033
local terms energy: -54.959773
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -111.625581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.625581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.625581 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -44.105
Base-Backbone interact. energy: -0.057
local terms energy: -64.272041
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -95.287037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287037 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.234
local terms energy: -60.654835
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -85.193581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.193581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.193581 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.758
local terms energy: -49.772824
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -79.972539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.972539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.972539 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.421
local terms energy: -48.614527
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -71.199125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.199125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.199125 (E_RNA)
where:
Base-Base interactions energy: -24.210
where: short stacking energy: -24.173
Base-Backbone interact. energy: -0.095
local terms energy: -46.894857
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -224.803634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.803634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.803634 (E_RNA)
where:
Base-Base interactions energy: -151.324
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.037
local terms energy: -73.442768
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -210.051283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.051283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.051283 (E_RNA)
where:
Base-Base interactions energy: -131.107
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.069
local terms energy: -78.875300
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -189.207875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.207875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.207875 (E_RNA)
where:
Base-Base interactions energy: -108.192
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.099
local terms energy: -80.916515
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -158.969432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.969432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.969432 (E_RNA)
where:
Base-Base interactions energy: -96.018
where: short stacking energy: -57.133
Base-Backbone interact. energy: 0.046
local terms energy: -62.997533
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -149.454591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.454591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.454591 (E_RNA)
where:
Base-Base interactions energy: -92.071
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.993
local terms energy: -56.390338
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -105.825576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.825576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.825576 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.812
local terms energy: -61.427861
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -129.578465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.578465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.578465 (E_RNA)
where:
Base-Base interactions energy: -68.875
where: short stacking energy: -35.902
Base-Backbone interact. energy: -0.388
local terms energy: -60.316177
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -93.221790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.221790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.221790 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.123
local terms energy: -56.301543
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -8.099
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -99.315544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.315544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.315544 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.192
local terms energy: -61.700172
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.442042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.442042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.442042 (E_RNA)
where:
Base-Base interactions energy: -26.589
where: short stacking energy: -26.570
Base-Backbone interact. energy: -0.103
local terms energy: -51.749756
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -226.790432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.790432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.790432 (E_RNA)
where:
Base-Base interactions energy: -147.018
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.460
local terms energy: -79.311869
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -201.997262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.997262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.997262 (E_RNA)
where:
Base-Base interactions energy: -132.517
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.002
local terms energy: -69.478777
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -212.125451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.125451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.125451 (E_RNA)
where:
Base-Base interactions energy: -132.494
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.376
local terms energy: -79.255581
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -159.015268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.015268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.015268 (E_RNA)
where:
Base-Base interactions energy: -99.916
where: short stacking energy: -48.535
Base-Backbone interact. energy: -0.364
local terms energy: -58.735573
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -148.521143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.521143 (E_RNA)
where:
Base-Base interactions energy: -83.847
where: short stacking energy: -38.161
Base-Backbone interact. energy: -0.003
local terms energy: -64.671521
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -102.143563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.143563 (E_RNA)
where:
Base-Base interactions energy: -44.262
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.126
local terms energy: -57.756252
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -99.187707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.187707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.187707 (E_RNA)
where:
Base-Base interactions energy: -44.426
where: short stacking energy: -37.956
Base-Backbone interact. energy: 0.120
local terms energy: -54.881559
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -77.345041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.345041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.345041 (E_RNA)
where:
Base-Base interactions energy: -35.416
where: short stacking energy: -30.719
Base-Backbone interact. energy: 1.714
local terms energy: -43.643024
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -87.977954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977954 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.067
local terms energy: -55.771834
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -76.484475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.484475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.484475 (E_RNA)
where:
Base-Base interactions energy: -25.487
where: short stacking energy: -26.087
Base-Backbone interact. energy: 0.192
local terms energy: -51.189069
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -212.147199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.147199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.147199 (E_RNA)
where:
Base-Base interactions energy: -139.829
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.655
local terms energy: -71.663172
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -225.096731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.096731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.096731 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -62.104
Base-Backbone interact. energy: -0.087
local terms energy: -84.568729
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -206.101636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.101636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.101636 (E_RNA)
where:
Base-Base interactions energy: -134.643
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.076
local terms energy: -71.382474
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -132.006208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.006208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.006208 (E_RNA)
where:
Base-Base interactions energy: -70.596
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.012
local terms energy: -61.398222
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -100.049776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.049776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.049776 (E_RNA)
where:
Base-Base interactions energy: -39.595
where: short stacking energy: -36.944
Base-Backbone interact. energy: 0.607
local terms energy: -61.061186
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -146.506494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.506494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.506494 (E_RNA)
where:
Base-Base interactions energy: -79.032
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.107
local terms energy: -67.367780
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -97.035335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.035335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.035335 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -43.131
Base-Backbone interact. energy: -0.093
local terms energy: -53.811165
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -83.755896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.755896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.755896 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -30.454
Base-Backbone interact. energy: -1.164
local terms energy: -52.137305
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -83.626321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.626321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.626321 (E_RNA)
where:
Base-Base interactions energy: -36.839
where: short stacking energy: -26.751
Base-Backbone interact. energy: -0.307
local terms energy: -46.480625
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -76.280730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.280730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.280730 (E_RNA)
where:
Base-Base interactions energy: -22.871
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.249
local terms energy: -53.160490
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -214.043140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043140 (E_RNA)
where:
Base-Base interactions energy: -133.499
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.002
local terms energy: -80.542402
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -220.874747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.874747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.874747 (E_RNA)
where:
Base-Base interactions energy: -135.903
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.466
local terms energy: -84.506005
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -199.044420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.044420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.044420 (E_RNA)
where:
Base-Base interactions energy: -125.500
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.487
local terms energy: -73.057334
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -122.934716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.934716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.934716 (E_RNA)
where:
Base-Base interactions energy: -65.904
where: short stacking energy: -37.287
Base-Backbone interact. energy: 0.405
local terms energy: -57.436009
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -108.383514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.383514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.383514 (E_RNA)
where:
Base-Base interactions energy: -50.306
where: short stacking energy: -39.502
Base-Backbone interact. energy: -0.075
local terms energy: -58.002521
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -7.176
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -167.131360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.131360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.131360 (E_RNA)
where:
Base-Base interactions energy: -105.805
where: short stacking energy: -54.338
Base-Backbone interact. energy: -0.294
local terms energy: -61.032440
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -87.249755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.249755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.249755 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.227
local terms energy: -52.086678
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: 2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -84.520674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.520674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.520674 (E_RNA)
where:
Base-Base interactions energy: -29.256
where: short stacking energy: -29.256
Base-Backbone interact. energy: -0.025
local terms energy: -55.240137
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -78.722844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.722844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.722844 (E_RNA)
where:
Base-Base interactions energy: -23.649
where: short stacking energy: -20.939
Base-Backbone interact. energy: 0.603
local terms energy: -55.677095
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -85.272731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272731 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -26.512
Base-Backbone interact. energy: -0.111
local terms energy: -58.649403
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -218.677208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677208 (E_RNA)
where:
Base-Base interactions energy: -142.574
where: short stacking energy: -69.728
Base-Backbone interact. energy: -0.741
local terms energy: -75.361733
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -216.384427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.384427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.384427 (E_RNA)
where:
Base-Base interactions energy: -139.668
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.002
local terms energy: -76.713935
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -199.129396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.129396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.129396 (E_RNA)
where:
Base-Base interactions energy: -119.473
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.050
local terms energy: -79.606702
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -114.600374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.600374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.600374 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -40.663
Base-Backbone interact. energy: 0.381
local terms energy: -67.430607
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -140.179139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.179139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.179139 (E_RNA)
where:
Base-Base interactions energy: -83.652
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.026
local terms energy: -56.501060
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -102.978084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.978084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.978084 (E_RNA)
where:
Base-Base interactions energy: -58.296
where: short stacking energy: -37.368
Base-Backbone interact. energy: 1.182
local terms energy: -45.863680
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -104.573634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.573634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.573634 (E_RNA)
where:
Base-Base interactions energy: -41.607
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.984
local terms energy: -61.983421
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -86.496100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.496100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.496100 (E_RNA)
where:
Base-Base interactions energy: -33.282
where: short stacking energy: -31.232
Base-Backbone interact. energy: -0.220
local terms energy: -52.993447
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -103.846701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.846701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.846701 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.221
local terms energy: -66.646095
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -69.254485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.254485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.254485 (E_RNA)
where:
Base-Base interactions energy: -24.635
where: short stacking energy: -24.635
Base-Backbone interact. energy: -0.182
local terms energy: -44.437963
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -221.461152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.461152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.461152 (E_RNA)
where:
Base-Base interactions energy: -138.736
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.032
local terms energy: -82.693317
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -219.843949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.843949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.843949 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.008
local terms energy: -79.401603
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -209.071610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.071610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071610 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -63.947
Base-Backbone interact. energy: 0.316
local terms energy: -76.390139
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -162.924948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.924948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.924948 (E_RNA)
where:
Base-Base interactions energy: -98.205
where: short stacking energy: -57.524
Base-Backbone interact. energy: 2.253
local terms energy: -66.973532
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -96.322819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322819 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -36.050
Base-Backbone interact. energy: -0.481
local terms energy: -54.538603
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -108.171249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.171249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.171249 (E_RNA)
where:
Base-Base interactions energy: -52.045
where: short stacking energy: -34.523
Base-Backbone interact. energy: 0.640
local terms energy: -56.766034
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -99.227812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.227812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.227812 (E_RNA)
where:
Base-Base interactions energy: -42.399
where: short stacking energy: -30.973
Base-Backbone interact. energy: 0.559
local terms energy: -57.387921
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -82.908580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.908580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.908580 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.065
local terms energy: -50.424492
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: 0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -81.418621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.418621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.418621 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -32.463
Base-Backbone interact. energy: -0.395
local terms energy: -45.759767
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -79.369470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.369470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.369470 (E_RNA)
where:
Base-Base interactions energy: -31.000
where: short stacking energy: -28.660
Base-Backbone interact. energy: 2.969
local terms energy: -51.338474
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -224.013455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.013455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.013455 (E_RNA)
where:
Base-Base interactions energy: -144.807
where: short stacking energy: -66.326
Base-Backbone interact. energy: 0.308
local terms energy: -79.513903
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -216.941552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.941552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.941552 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.620
local terms energy: -78.813899
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -198.797430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797430 (E_RNA)
where:
Base-Base interactions energy: -130.194
where: short stacking energy: -67.389
Base-Backbone interact. energy: -0.674
local terms energy: -67.928619
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -171.251942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.251942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.251942 (E_RNA)
where:
Base-Base interactions energy: -96.286
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.834
local terms energy: -74.131866
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -96.258204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.258204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.258204 (E_RNA)
where:
Base-Base interactions energy: -40.391
where: short stacking energy: -39.498
Base-Backbone interact. energy: -1.527
local terms energy: -54.339656
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -100.832657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.832657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.832657 (E_RNA)
where:
Base-Base interactions energy: -39.646
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.088
local terms energy: -61.098631
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -91.632914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.632914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.632914 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.162
local terms energy: -52.566846
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -96.557085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557085 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -43.117
Base-Backbone interact. energy: 0.522
local terms energy: -53.099912
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -81.897617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897617 (E_RNA)
where:
Base-Base interactions energy: -31.411
where: short stacking energy: -21.587
Base-Backbone interact. energy: -0.767
local terms energy: -49.718889
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -76.019147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.019147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.019147 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -21.261
Base-Backbone interact. energy: -0.750
local terms energy: -47.314308
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -221.183688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.183688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.183688 (E_RNA)
where:
Base-Base interactions energy: -145.676
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.004
local terms energy: -75.504197
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -214.241985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.241985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.241985 (E_RNA)
where:
Base-Base interactions energy: -132.656
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.106
local terms energy: -81.480087
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -213.257298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.257298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.257298 (E_RNA)
where:
Base-Base interactions energy: -132.807
where: short stacking energy: -52.582
Base-Backbone interact. energy: -1.506
local terms energy: -78.944821
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -162.545657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.545657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.545657 (E_RNA)
where:
Base-Base interactions energy: -99.393
where: short stacking energy: -51.509
Base-Backbone interact. energy: -1.910
local terms energy: -61.242431
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -109.676625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.676625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.676625 (E_RNA)
where:
Base-Base interactions energy: -50.448
where: short stacking energy: -26.070
Base-Backbone interact. energy: -0.443
local terms energy: -58.785559
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -108.163948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.163948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.163948 (E_RNA)
where:
Base-Base interactions energy: -52.387
where: short stacking energy: -47.793
Base-Backbone interact. energy: 0.945
local terms energy: -56.722274
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -125.068420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.068420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.068420 (E_RNA)
where:
Base-Base interactions energy: -67.179
where: short stacking energy: -35.713
Base-Backbone interact. energy: -0.382
local terms energy: -57.506605
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -88.139002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.139002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.139002 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -36.200
Base-Backbone interact. energy: -0.274
local terms energy: -48.528225
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -95.956694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.956694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.956694 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.260
local terms energy: -59.281306
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -75.800685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.800685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.800685 (E_RNA)
where:
Base-Base interactions energy: -24.508
where: short stacking energy: -23.053
Base-Backbone interact. energy: 0.800
local terms energy: -52.092064
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -220.914875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.914875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.914875 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.369
local terms energy: -76.959378
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -215.808250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.808250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.808250 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -63.394
Base-Backbone interact. energy: -0.081
local terms energy: -77.075294
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -201.112538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.112538 (E_RNA)
where:
Base-Base interactions energy: -129.920
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.618
local terms energy: -70.574349
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -165.386876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.386876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.386876 (E_RNA)
where:
Base-Base interactions energy: -108.055
where: short stacking energy: -52.253
Base-Backbone interact. energy: -0.084
local terms energy: -57.247046
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -7.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -113.155627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.155627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.155627 (E_RNA)
where:
Base-Base interactions energy: -49.597
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.125
local terms energy: -63.433581
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -102.441429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441429 (E_RNA)
where:
Base-Base interactions energy: -36.101
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.144
local terms energy: -66.196347
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -129.243674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.243674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.243674 (E_RNA)
where:
Base-Base interactions energy: -65.095
where: short stacking energy: -42.655
Base-Backbone interact. energy: 0.258
local terms energy: -64.406948
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -93.716945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716945 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.238
local terms energy: -60.101641
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -86.261679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.261679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.261679 (E_RNA)
where:
Base-Base interactions energy: -39.766
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.830
local terms energy: -45.665878
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -87.072144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072144 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -31.865
Base-Backbone interact. energy: -1.651
local terms energy: -48.776414
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -219.212046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.212046 (E_RNA)
where:
Base-Base interactions energy: -140.872
where: short stacking energy: -59.030
Base-Backbone interact. energy: 0.294
local terms energy: -78.634734
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -211.385145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.385145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.385145 (E_RNA)
where:
Base-Base interactions energy: -135.713
where: short stacking energy: -59.963
Base-Backbone interact. energy: 0.551
local terms energy: -76.222994
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -204.646644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.646644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.646644 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.074
local terms energy: -74.211267
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -166.155317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.155317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.155317 (E_RNA)
where:
Base-Base interactions energy: -94.061
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.626
local terms energy: -71.467907
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -113.433381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.433381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.433381 (E_RNA)
where:
Base-Base interactions energy: -46.358
where: short stacking energy: -43.890
Base-Backbone interact. energy: -0.215
local terms energy: -66.860312
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -119.523884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.523884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.523884 (E_RNA)
where:
Base-Base interactions energy: -60.672
where: short stacking energy: -47.757
Base-Backbone interact. energy: -1.273
local terms energy: -57.578991
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -97.030865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.030865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.030865 (E_RNA)
where:
Base-Base interactions energy: -43.538
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.150
local terms energy: -53.342724
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -87.970912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.970912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.970912 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.074
local terms energy: -56.575626
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -84.230916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.230916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.230916 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.079
local terms energy: -55.990199
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -81.668197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668197 (E_RNA)
where:
Base-Base interactions energy: -31.173
where: short stacking energy: -25.485
Base-Backbone interact. energy: 2.872
local terms energy: -53.368033
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -219.046319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.046319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.046319 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.006
local terms energy: -76.684292
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -209.451339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.451339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.451339 (E_RNA)
where:
Base-Base interactions energy: -128.938
where: short stacking energy: -59.912
Base-Backbone interact. energy: -0.194
local terms energy: -80.319159
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -192.222429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.222429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.222429 (E_RNA)
where:
Base-Base interactions energy: -119.942
where: short stacking energy: -61.450
Base-Backbone interact. energy: 1.784
local terms energy: -74.064767
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -159.855182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.855182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.855182 (E_RNA)
where:
Base-Base interactions energy: -87.229
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.566
local terms energy: -72.060169
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -123.045402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.045402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.045402 (E_RNA)
where:
Base-Base interactions energy: -59.147
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.129
local terms energy: -63.769302
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -93.880947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.880947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.880947 (E_RNA)
where:
Base-Base interactions energy: -32.200
where: short stacking energy: -32.200
Base-Backbone interact. energy: -0.174
local terms energy: -61.507049
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -98.308006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.308006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.308006 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.036
local terms energy: -64.683636
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -97.500149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.500149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.500149 (E_RNA)
where:
Base-Base interactions energy: -42.559
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.043
local terms energy: -54.898592
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -100.047294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.047294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.047294 (E_RNA)
where:
Base-Base interactions energy: -47.373
where: short stacking energy: -47.373
Base-Backbone interact. energy: -0.046
local terms energy: -52.627756
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -88.577864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.577864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.577864 (E_RNA)
where:
Base-Base interactions energy: -37.286
where: short stacking energy: -37.286
Base-Backbone interact. energy: -0.117
local terms energy: -51.174061
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -217.346095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.346095 (E_RNA)
where:
Base-Base interactions energy: -138.086
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.176
local terms energy: -79.084709
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -208.403102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.403102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.403102 (E_RNA)
where:
Base-Base interactions energy: -134.045
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.162
local terms energy: -74.195337
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -196.015483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.015483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.015483 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.074
local terms energy: -72.624157
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -123.260535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.260535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.260535 (E_RNA)
where:
Base-Base interactions energy: -64.451
where: short stacking energy: -36.513
Base-Backbone interact. energy: -0.022
local terms energy: -58.787697
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -158.693382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.693382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.693382 (E_RNA)
where:
Base-Base interactions energy: -97.571
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.150
local terms energy: -60.972399
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -96.428751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.428751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.428751 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.090
local terms energy: -54.219045
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -100.179568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179568 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -41.962
Base-Backbone interact. energy: -0.122
local terms energy: -58.094749
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -102.544614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.544614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.544614 (E_RNA)
where:
Base-Base interactions energy: -53.374
where: short stacking energy: -31.560
Base-Backbone interact. energy: 0.829
local terms energy: -49.999004
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -99.320874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.320874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.320874 (E_RNA)
where:
Base-Base interactions energy: -43.478
where: short stacking energy: -36.689
Base-Backbone interact. energy: 1.025
local terms energy: -56.866977
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -7.976
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -74.150802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.150802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.150802 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -32.034
Base-Backbone interact. energy: 0.501
local terms energy: -42.617786
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -209.343907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.343907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.343907 (E_RNA)
where:
Base-Base interactions energy: -126.021
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.806
local terms energy: -82.516602
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -213.184616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184616 (E_RNA)
where:
Base-Base interactions energy: -135.239
where: short stacking energy: -57.338
Base-Backbone interact. energy: -0.102
local terms energy: -77.843928
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -206.960362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.960362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.960362 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.022
local terms energy: -69.860307
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -109.620016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.620016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.620016 (E_RNA)
where:
Base-Base interactions energy: -53.690
where: short stacking energy: -34.869
Base-Backbone interact. energy: 0.155
local terms energy: -56.085667
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -157.621913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.621913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.621913 (E_RNA)
where:
Base-Base interactions energy: -95.695
where: short stacking energy: -48.353
Base-Backbone interact. energy: -0.518
local terms energy: -61.408545
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -97.434778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.434778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.434778 (E_RNA)
where:
Base-Base interactions energy: -45.700
where: short stacking energy: -37.788
Base-Backbone interact. energy: -0.141
local terms energy: -51.594091
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -103.136367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.136367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.136367 (E_RNA)
where:
Base-Base interactions energy: -50.190
where: short stacking energy: -41.909
Base-Backbone interact. energy: -0.065
local terms energy: -52.882085
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -94.383276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383276 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -32.483
Base-Backbone interact. energy: -0.089
local terms energy: -60.331906
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -81.608995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.608995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.608995 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -28.524
Base-Backbone interact. energy: -0.004
local terms energy: -51.227282
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -97.483356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.483356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.483356 (E_RNA)
where:
Base-Base interactions energy: -57.290
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.089
local terms energy: -40.104498
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -2.558
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -203.352243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.352243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.352243 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.631
local terms energy: -72.911943
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -217.227540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.227540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.227540 (E_RNA)
where:
Base-Base interactions energy: -140.373
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.059
local terms energy: -76.795136
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -205.107657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.107657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.107657 (E_RNA)
where:
Base-Base interactions energy: -130.279
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.518
local terms energy: -74.310695
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -154.512517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.512517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.512517 (E_RNA)
where:
Base-Base interactions energy: -85.092
where: short stacking energy: -45.031
Base-Backbone interact. energy: -0.133
local terms energy: -69.287747
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -121.373213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.373213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.373213 (E_RNA)
where:
Base-Base interactions energy: -54.327
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.221
local terms energy: -66.825319
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -115.749980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.749980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.749980 (E_RNA)
where:
Base-Base interactions energy: -49.338
where: short stacking energy: -41.172
Base-Backbone interact. energy: -0.109
local terms energy: -66.303750
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -103.281205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.281205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.281205 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.218
local terms energy: -64.160860
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -81.615552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.615552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.615552 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -19.492
Base-Backbone interact. energy: -0.096
local terms energy: -51.006559
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -95.972565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.972565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.972565 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -28.842
Base-Backbone interact. energy: -2.599
local terms energy: -53.559340
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -119.003682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.003682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.003682 (E_RNA)
where:
Base-Base interactions energy: -74.241
where: short stacking energy: -32.597
Base-Backbone interact. energy: -0.173
local terms energy: -44.589887
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -218.330674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.330674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.330674 (E_RNA)
where:
Base-Base interactions energy: -140.253
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.076
local terms energy: -78.001098
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -209.677732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.677732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.677732 (E_RNA)
where:
Base-Base interactions energy: -129.122
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.120
local terms energy: -80.436124
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -211.126195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.126195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.126195 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.004
local terms energy: -83.201308
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -24.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -138.098562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.098562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.098562 (E_RNA)
where:
Base-Base interactions energy: -72.867
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.004
local terms energy: -65.227535
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -140.771611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.771611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.771611 (E_RNA)
where:
Base-Base interactions energy: -70.074
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.127
local terms energy: -70.570858
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -117.677596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.677596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.677596 (E_RNA)
where:
Base-Base interactions energy: -51.077
where: short stacking energy: -35.616
Base-Backbone interact. energy: 0.316
local terms energy: -66.916652
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -96.140259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.140259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.140259 (E_RNA)
where:
Base-Base interactions energy: -39.779
where: short stacking energy: -39.779
Base-Backbone interact. energy: 0.451
local terms energy: -56.812269
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -87.544518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.544518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.544518 (E_RNA)
where:
Base-Base interactions energy: -31.227
where: short stacking energy: -22.979
Base-Backbone interact. energy: -0.043
local terms energy: -56.274426
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -86.019592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019592 (E_RNA)
where:
Base-Base interactions energy: -46.308
where: short stacking energy: -33.643
Base-Backbone interact. energy: 0.490
local terms energy: -40.201657
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -81.838307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.838307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.838307 (E_RNA)
where:
Base-Base interactions energy: -31.455
where: short stacking energy: -30.821
Base-Backbone interact. energy: -1.028
local terms energy: -49.354767
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -223.434777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434777 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.545
local terms energy: -84.529234
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -212.324859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.324859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.324859 (E_RNA)
where:
Base-Base interactions energy: -134.633
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.685
local terms energy: -77.007037
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -210.543168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.543168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.543168 (E_RNA)
where:
Base-Base interactions energy: -131.430
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.420
local terms energy: -78.693354
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -113.360137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.360137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.360137 (E_RNA)
where:
Base-Base interactions energy: -53.853
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.286
local terms energy: -59.221556
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -109.677301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.677301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.677301 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.053
local terms energy: -69.490232
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -106.092506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.092506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.092506 (E_RNA)
where:
Base-Base interactions energy: -51.881
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.055
local terms energy: -54.156564
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -87.118407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.118407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.118407 (E_RNA)
where:
Base-Base interactions energy: -35.098
where: short stacking energy: -23.779
Base-Backbone interact. energy: -0.476
local terms energy: -51.544183
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -88.704646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.704646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.704646 (E_RNA)
where:
Base-Base interactions energy: -36.527
where: short stacking energy: -32.626
Base-Backbone interact. energy: 0.790
local terms energy: -52.967766
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -80.296080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.296080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.296080 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -28.594
Base-Backbone interact. energy: -0.874
local terms energy: -49.117449
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -97.417943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.417943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.417943 (E_RNA)
where:
Base-Base interactions energy: -40.399
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.395
local terms energy: -56.623886
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -222.826941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.826941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.826941 (E_RNA)
where:
Base-Base interactions energy: -141.722
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.104
local terms energy: -81.001180
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -215.706609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706609 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -68.135
Base-Backbone interact. energy: -0.004
local terms energy: -74.980164
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -217.300673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.300673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.300673 (E_RNA)
where:
Base-Base interactions energy: -131.898
where: short stacking energy: -56.446
Base-Backbone interact. energy: -1.060
local terms energy: -84.342312
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -119.727472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.727472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.727472 (E_RNA)
where:
Base-Base interactions energy: -55.013
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.001
local terms energy: -64.713741
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -107.812733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.812733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.812733 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -40.032
Base-Backbone interact. energy: -0.693
local terms energy: -65.524596
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -125.065219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.065219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.065219 (E_RNA)
where:
Base-Base interactions energy: -63.260
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.331
local terms energy: -61.474595
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -102.703993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.703993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.703993 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -31.162
Base-Backbone interact. energy: -0.035
local terms energy: -71.713594
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -87.126645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126645 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -22.469
Base-Backbone interact. energy: 0.273
local terms energy: -59.077234
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -85.423364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.423364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.423364 (E_RNA)
where:
Base-Base interactions energy: -30.301
where: short stacking energy: -30.301
Base-Backbone interact. energy: 0.880
local terms energy: -56.002428
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -88.295306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.295306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.295306 (E_RNA)
where:
Base-Base interactions energy: -30.119
where: short stacking energy: -30.119
Base-Backbone interact. energy: -0.116
local terms energy: -58.061247
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -214.537370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.537370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.537370 (E_RNA)
where:
Base-Base interactions energy: -135.031
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.123
local terms energy: -79.382840
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -216.990189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.990189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.990189 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.107
local terms energy: -75.348278
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -206.548324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548324 (E_RNA)
where:
Base-Base interactions energy: -127.380
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.748
local terms energy: -78.419538
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -111.328923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.328923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.328923 (E_RNA)
where:
Base-Base interactions energy: -61.435
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.188
local terms energy: -49.705802
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -112.147303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.147303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.147303 (E_RNA)
where:
Base-Base interactions energy: -49.729
where: short stacking energy: -35.597
Base-Backbone interact. energy: -1.288
local terms energy: -61.129832
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -104.391395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.391395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.391395 (E_RNA)
where:
Base-Base interactions energy: -45.336
where: short stacking energy: -39.439
Base-Backbone interact. energy: -0.697
local terms energy: -58.358843
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -89.202037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.202037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.202037 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -36.149
Base-Backbone interact. energy: -0.119
local terms energy: -51.947222
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -76.919581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.919581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.919581 (E_RNA)
where:
Base-Base interactions energy: -27.580
where: short stacking energy: -18.917
Base-Backbone interact. energy: -0.080
local terms energy: -49.259247
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -92.391754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391754 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.076
local terms energy: -58.344282
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -84.756971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.756971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.756971 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -27.312
Base-Backbone interact. energy: 0.111
local terms energy: -57.541099
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -207.986132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.986132 (E_RNA)
where:
Base-Base interactions energy: -133.216
where: short stacking energy: -59.333
Base-Backbone interact. energy: -0.520
local terms energy: -74.249958
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -215.020821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.020821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.020821 (E_RNA)
where:
Base-Base interactions energy: -142.320
where: short stacking energy: -59.752
Base-Backbone interact. energy: -1.450
local terms energy: -71.250405
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -189.711837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.711837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.711837 (E_RNA)
where:
Base-Base interactions energy: -116.677
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.385
local terms energy: -72.649947
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -131.862186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.862186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.862186 (E_RNA)
where:
Base-Base interactions energy: -64.748
where: short stacking energy: -50.893
Base-Backbone interact. energy: -0.102
local terms energy: -67.011451
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -112.559110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.559110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.559110 (E_RNA)
where:
Base-Base interactions energy: -52.126
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.175
local terms energy: -60.258429
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -88.843196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.843196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.843196 (E_RNA)
where:
Base-Base interactions energy: -35.217
where: short stacking energy: -23.387
Base-Backbone interact. energy: -0.502
local terms energy: -53.123551
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: 1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -108.173014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.173014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.173014 (E_RNA)
where:
Base-Base interactions energy: -49.705
where: short stacking energy: -37.857
Base-Backbone interact. energy: -0.254
local terms energy: -58.214609
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -97.659532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.659532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.659532 (E_RNA)
where:
Base-Base interactions energy: -45.473
where: short stacking energy: -30.700
Base-Backbone interact. energy: 0.047
local terms energy: -52.234288
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -79.665926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.665926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.665926 (E_RNA)
where:
Base-Base interactions energy: -23.648
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.171
local terms energy: -55.846511
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -85.800886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800886 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.621
local terms energy: -54.845332
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -225.959272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.959272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.959272 (E_RNA)
where:
Base-Base interactions energy: -146.610
where: short stacking energy: -73.801
Base-Backbone interact. energy: -0.089
local terms energy: -79.259842
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -197.260811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.260811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.260811 (E_RNA)
where:
Base-Base interactions energy: -129.400
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.183
local terms energy: -67.678041
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -210.253090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.253090 (E_RNA)
where:
Base-Base interactions energy: -128.339
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.108
local terms energy: -81.806731
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -100.444442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.444442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.444442 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -40.209
Base-Backbone interact. energy: -0.112
local terms energy: -60.123787
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -102.352198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.352198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.352198 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.060
local terms energy: -57.147661
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -103.843465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.843465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.843465 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.818
local terms energy: -65.413754
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -102.694691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.694691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.694691 (E_RNA)
where:
Base-Base interactions energy: -55.056
where: short stacking energy: -30.485
Base-Backbone interact. energy: 1.162
local terms energy: -48.800572
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -88.850184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.850184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.850184 (E_RNA)
where:
Base-Base interactions energy: -43.049
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.281
local terms energy: -45.519887
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -90.252127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252127 (E_RNA)
where:
Base-Base interactions energy: -35.533
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.232
local terms energy: -54.487342
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -83.521809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521809 (E_RNA)
where:
Base-Base interactions energy: -35.025
where: short stacking energy: -29.234
Base-Backbone interact. energy: 0.240
local terms energy: -48.736656
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -210.534268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.534268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.534268 (E_RNA)
where:
Base-Base interactions energy: -128.820
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.877
local terms energy: -80.837273
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -214.455838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.455838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.455838 (E_RNA)
where:
Base-Base interactions energy: -136.905
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.322
local terms energy: -77.229143
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -212.365319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.365319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.365319 (E_RNA)
where:
Base-Base interactions energy: -130.875
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.719
local terms energy: -80.771108
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -121.999353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.999353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.999353 (E_RNA)
where:
Base-Base interactions energy: -63.439
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.010
local terms energy: -58.550308
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -116.854218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.854218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.854218 (E_RNA)
where:
Base-Base interactions energy: -53.212
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.112
local terms energy: -63.530395
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -97.881713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.881713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.881713 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -36.681
Base-Backbone interact. energy: 2.015
local terms energy: -51.729323
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -88.783338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.783338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.783338 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -25.096
Base-Backbone interact. energy: 0.586
local terms energy: -59.518736
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.357955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.357955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.357955 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.920
local terms energy: -59.908223
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -87.398616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.398616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.398616 (E_RNA)
where:
Base-Base interactions energy: -39.007
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.238
local terms energy: -48.153252
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -78.944389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.944389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.944389 (E_RNA)
where:
Base-Base interactions energy: -26.802
where: short stacking energy: -18.469
Base-Backbone interact. energy: -0.145
local terms energy: -51.997740
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -218.893955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.893955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.893955 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.245
local terms energy: -74.236776
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -216.958268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.958268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.958268 (E_RNA)
where:
Base-Base interactions energy: -138.793
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.002
local terms energy: -78.163544
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -206.078706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078706 (E_RNA)
where:
Base-Base interactions energy: -139.194
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.085
local terms energy: -66.800225
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -2.337
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -108.648025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.648025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.648025 (E_RNA)
where:
Base-Base interactions energy: -46.441
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.003
local terms energy: -62.203663
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -117.118883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.118883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.118883 (E_RNA)
where:
Base-Base interactions energy: -64.869
where: short stacking energy: -49.713
Base-Backbone interact. energy: -0.153
local terms energy: -52.096919
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -85.659524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659524 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -25.439
Base-Backbone interact. energy: 0.610
local terms energy: -50.948729
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: 1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -96.853481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.853481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.853481 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -33.607
Base-Backbone interact. energy: -1.639
local terms energy: -59.594868
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -80.887416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887416 (E_RNA)
where:
Base-Base interactions energy: -31.145
where: short stacking energy: -30.719
Base-Backbone interact. energy: -0.019
local terms energy: -49.723294
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -84.413692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413692 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.082
local terms energy: -53.633833
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -1.839
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -85.202406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202406 (E_RNA)
where:
Base-Base interactions energy: -34.517
where: short stacking energy: -32.894
Base-Backbone interact. energy: -0.111
local terms energy: -50.574278
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -215.578056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.578056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.578056 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.027
local terms energy: -76.232633
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -202.999428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999428 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.330
local terms energy: -75.787674
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -196.069504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.069504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.069504 (E_RNA)
where:
Base-Base interactions energy: -128.573
where: short stacking energy: -60.981
Base-Backbone interact. energy: -0.791
local terms energy: -66.705467
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -130.188329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.188329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.188329 (E_RNA)
where:
Base-Base interactions energy: -73.335
where: short stacking energy: -33.199
Base-Backbone interact. energy: -0.521
local terms energy: -56.333005
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -116.604349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.604349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.604349 (E_RNA)
where:
Base-Base interactions energy: -53.522
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.079
local terms energy: -63.002542
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -99.544449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.544449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.544449 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.877
local terms energy: -54.664366
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -104.716363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.716363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.716363 (E_RNA)
where:
Base-Base interactions energy: -47.509
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.179
local terms energy: -57.028183
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -96.967867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.967867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.967867 (E_RNA)
where:
Base-Base interactions energy: -33.928
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.164
local terms energy: -62.875718
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -83.173164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.173164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.173164 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.061
local terms energy: -50.817854
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -81.695191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695191 (E_RNA)
where:
Base-Base interactions energy: -33.916
where: short stacking energy: -32.560
Base-Backbone interact. energy: -0.123
local terms energy: -47.656314
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -218.353322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353322 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.001
local terms energy: -86.880873
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -212.154716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.154716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.154716 (E_RNA)
where:
Base-Base interactions energy: -135.858
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.007
local terms energy: -76.289283
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -187.959548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959548 (E_RNA)
where:
Base-Base interactions energy: -113.118
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.011
local terms energy: -74.830261
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -165.689308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.689308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.689308 (E_RNA)
where:
Base-Base interactions energy: -99.400
where: short stacking energy: -50.207
Base-Backbone interact. energy: -0.302
local terms energy: -65.987610
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -103.797904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797904 (E_RNA)
where:
Base-Base interactions energy: -46.618
where: short stacking energy: -40.744
Base-Backbone interact. energy: -0.024
local terms energy: -57.154953
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -96.786688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.786688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.786688 (E_RNA)
where:
Base-Base interactions energy: -36.999
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.214
local terms energy: -59.573834
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -102.120557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.120557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.120557 (E_RNA)
where:
Base-Base interactions energy: -46.399
where: short stacking energy: -46.187
Base-Backbone interact. energy: -0.004
local terms energy: -55.717238
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -87.614866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.614866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.614866 (E_RNA)
where:
Base-Base interactions energy: -35.573
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.649
local terms energy: -51.392908
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -2.394
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -87.594706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594706 (E_RNA)
where:
Base-Base interactions energy: -34.181
where: short stacking energy: -32.820
Base-Backbone interact. energy: -0.036
local terms energy: -53.377859
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -83.230354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.230354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.230354 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -31.042
Base-Backbone interact. energy: 1.750
local terms energy: -53.692905
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -209.862655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.862655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.862655 (E_RNA)
where:
Base-Base interactions energy: -137.803
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.094
local terms energy: -71.965811
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -219.960991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.960991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.960991 (E_RNA)
where:
Base-Base interactions energy: -137.728
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.087
local terms energy: -82.145984
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -164.689068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.689068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.689068 (E_RNA)
where:
Base-Base interactions energy: -94.992
where: short stacking energy: -53.040
Base-Backbone interact. energy: -0.122
local terms energy: -69.574870
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -172.615088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.615088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.615088 (E_RNA)
where:
Base-Base interactions energy: -99.164
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.405
local terms energy: -73.046677
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -152.790635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.790635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.790635 (E_RNA)
where:
Base-Base interactions energy: -93.534
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.962
local terms energy: -58.295513
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -97.641436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.641436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.641436 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -30.811
Base-Backbone interact. energy: -0.086
local terms energy: -59.198022
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -105.680861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.680861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.680861 (E_RNA)
where:
Base-Base interactions energy: -54.287
where: short stacking energy: -25.500
Base-Backbone interact. energy: -0.594
local terms energy: -50.800519
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -91.547879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.547879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.547879 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.375
local terms energy: -53.552588
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -81.558837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558837 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -24.385
Base-Backbone interact. energy: -0.678
local terms energy: -50.831657
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -86.640077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640077 (E_RNA)
where:
Base-Base interactions energy: -35.637
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.038
local terms energy: -50.964841
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -7.367
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -216.776219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.776219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.776219 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.219
local terms energy: -86.027121
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -217.387875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.387875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.387875 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.345
local terms energy: -76.634817
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -159.774901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.774901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.774901 (E_RNA)
where:
Base-Base interactions energy: -90.921
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.307
local terms energy: -68.547082
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -172.586874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.586874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.586874 (E_RNA)
where:
Base-Base interactions energy: -103.761
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.229
local terms energy: -68.596289
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -154.570079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.570079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.570079 (E_RNA)
where:
Base-Base interactions energy: -89.551
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.040
local terms energy: -64.978470
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -98.730283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.730283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.730283 (E_RNA)
where:
Base-Base interactions energy: -50.685
where: short stacking energy: -22.965
Base-Backbone interact. energy: -0.377
local terms energy: -47.668141
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -102.345100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.345100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.345100 (E_RNA)
where:
Base-Base interactions energy: -46.829
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.083
local terms energy: -55.433911
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -8.134
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -83.402713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.402713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.402713 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.260
local terms energy: -50.545879
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -116.210061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.210061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.210061 (E_RNA)
where:
Base-Base interactions energy: -67.786
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.651
local terms energy: -47.773200
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -83.166995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.166995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.166995 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -33.229
Base-Backbone interact. energy: 4.023
local terms energy: -53.960990
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -207.525800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.525800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.525800 (E_RNA)
where:
Base-Base interactions energy: -135.704
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.082
local terms energy: -71.740394
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -212.030297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.030297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.030297 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -57.820
Base-Backbone interact. energy: -0.030
local terms energy: -78.115812
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -174.980796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980796 (E_RNA)
where:
Base-Base interactions energy: -103.560
where: short stacking energy: -63.813
Base-Backbone interact. energy: -0.602
local terms energy: -70.818668
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -161.581915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.581915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.581915 (E_RNA)
where:
Base-Base interactions energy: -90.687
where: short stacking energy: -52.324
Base-Backbone interact. energy: -0.675
local terms energy: -70.220400
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -102.401113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.401113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.401113 (E_RNA)
where:
Base-Base interactions energy: -50.457
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.110
local terms energy: -51.834019
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -126.187124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.187124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.187124 (E_RNA)
where:
Base-Base interactions energy: -73.946
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.028
local terms energy: -52.213100
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -100.054791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.054791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.054791 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -37.695
Base-Backbone interact. energy: -0.546
local terms energy: -57.658224
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -91.593102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.593102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.593102 (E_RNA)
where:
Base-Base interactions energy: -42.126
where: short stacking energy: -30.005
Base-Backbone interact. energy: -0.072
local terms energy: -49.395205
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -4.946
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -99.999364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.999364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.999364 (E_RNA)
where:
Base-Base interactions energy: -52.782
where: short stacking energy: -25.300
Base-Backbone interact. energy: -0.171
local terms energy: -47.046432
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: 2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -76.748480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.748480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.748480 (E_RNA)
where:
Base-Base interactions energy: -22.188
where: short stacking energy: -17.377
Base-Backbone interact. energy: -0.128
local terms energy: -54.432678
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -219.944638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.944638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.944638 (E_RNA)
where:
Base-Base interactions energy: -137.082
where: short stacking energy: -67.156
Base-Backbone interact. energy: -1.253
local terms energy: -81.609541
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -182.172233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.172233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.172233 (E_RNA)
where:
Base-Base interactions energy: -108.114
where: short stacking energy: -54.281
Base-Backbone interact. energy: -0.257
local terms energy: -73.801361
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -199.898424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.898424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.898424 (E_RNA)
where:
Base-Base interactions energy: -119.324
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.526
local terms energy: -80.048604
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -166.681613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.681613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.681613 (E_RNA)
where:
Base-Base interactions energy: -98.588
where: short stacking energy: -48.854
Base-Backbone interact. energy: -0.008
local terms energy: -68.085345
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -118.922583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.922583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.922583 (E_RNA)
where:
Base-Base interactions energy: -58.910
where: short stacking energy: -41.714
Base-Backbone interact. energy: -0.078
local terms energy: -59.934954
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -131.786359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.786359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.786359 (E_RNA)
where:
Base-Base interactions energy: -65.541
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.149
local terms energy: -66.096061
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -103.612913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.612913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.612913 (E_RNA)
where:
Base-Base interactions energy: -43.255
where: short stacking energy: -43.255
Base-Backbone interact. energy: -0.117
local terms energy: -60.240386
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -80.976162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.976162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.976162 (E_RNA)
where:
Base-Base interactions energy: -26.613
where: short stacking energy: -22.694
Base-Backbone interact. energy: -0.087
local terms energy: -54.276509
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -84.819876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.819876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.819876 (E_RNA)
where:
Base-Base interactions energy: -38.156
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.116
local terms energy: -46.547921
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -79.873693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.873693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.873693 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.078
local terms energy: -49.692545
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -8.225
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -219.267639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.267639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.267639 (E_RNA)
where:
Base-Base interactions energy: -137.695
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.015
local terms energy: -81.557174
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -185.064107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.064107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.064107 (E_RNA)
where:
Base-Base interactions energy: -114.765
where: short stacking energy: -48.208
Base-Backbone interact. energy: -0.150
local terms energy: -70.149554
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -184.439347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.439347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439347 (E_RNA)
where:
Base-Base interactions energy: -108.033
where: short stacking energy: -51.365
Base-Backbone interact. energy: -1.279
local terms energy: -75.127604
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -198.438234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.438234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.438234 (E_RNA)
where:
Base-Base interactions energy: -124.796
where: short stacking energy: -58.145
Base-Backbone interact. energy: -1.556
local terms energy: -72.085658
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -113.423819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.423819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.423819 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -39.656
Base-Backbone interact. energy: -0.030
local terms energy: -72.536635
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -96.525258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.525258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.525258 (E_RNA)
where:
Base-Base interactions energy: -42.889
where: short stacking energy: -31.521
Base-Backbone interact. energy: -1.308
local terms energy: -52.328252
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -107.051059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.051059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.051059 (E_RNA)
where:
Base-Base interactions energy: -43.435
where: short stacking energy: -43.232
Base-Backbone interact. energy: -0.115
local terms energy: -63.500349
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -89.167195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.167195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.167195 (E_RNA)
where:
Base-Base interactions energy: -42.084
where: short stacking energy: -29.093
Base-Backbone interact. energy: 1.131
local terms energy: -48.214163
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -86.635740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.635740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.635740 (E_RNA)
where:
Base-Base interactions energy: -32.769
where: short stacking energy: -32.769
Base-Backbone interact. energy: -0.324
local terms energy: -53.542632
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -78.860868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.860868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.860868 (E_RNA)
where:
Base-Base interactions energy: -28.548
where: short stacking energy: -24.144
Base-Backbone interact. energy: 0.068
local terms energy: -50.381638
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -210.756824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.756824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.756824 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.114
local terms energy: -79.031235
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -186.304192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.304192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.304192 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -44.019
Base-Backbone interact. energy: -1.118
local terms energy: -67.288735
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -175.761583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.761583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.761583 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -55.496
Base-Backbone interact. energy: -1.739
local terms energy: -69.895285
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -205.151968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.151968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.151968 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -49.918
Base-Backbone interact. energy: -0.629
local terms energy: -67.892255
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -107.950219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.950219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.950219 (E_RNA)
where:
Base-Base interactions energy: -51.597
where: short stacking energy: -40.261
Base-Backbone interact. energy: 0.528
local terms energy: -56.881464
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -99.947109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.947109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.947109 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.055
local terms energy: -60.152429
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -93.652778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652778 (E_RNA)
where:
Base-Base interactions energy: -41.241
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.412
local terms energy: -51.999170
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -85.150954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.150954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.150954 (E_RNA)
where:
Base-Base interactions energy: -35.352
where: short stacking energy: -32.840
Base-Backbone interact. energy: 0.926
local terms energy: -50.724521
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -88.216049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.216049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.216049 (E_RNA)
where:
Base-Base interactions energy: -40.170
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.108
local terms energy: -47.938197
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -1.731
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -81.695142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695142 (E_RNA)
where:
Base-Base interactions energy: -27.510
where: short stacking energy: -27.510
Base-Backbone interact. energy: -0.014
local terms energy: -54.170825
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -225.794421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.794421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.794421 (E_RNA)
where:
Base-Base interactions energy: -144.116
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.402
local terms energy: -81.275561
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -195.846185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.846185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.846185 (E_RNA)
where:
Base-Base interactions energy: -115.900
where: short stacking energy: -67.536
Base-Backbone interact. energy: 0.905
local terms energy: -80.851431
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -211.556643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.556643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.556643 (E_RNA)
where:
Base-Base interactions energy: -131.523
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.115
local terms energy: -79.918722
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -173.618194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.618194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.618194 (E_RNA)
where:
Base-Base interactions energy: -104.655
where: short stacking energy: -56.153
Base-Backbone interact. energy: -0.817
local terms energy: -68.145604
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -130.391511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.391511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.391511 (E_RNA)
where:
Base-Base interactions energy: -74.824
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.882
local terms energy: -54.685628
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -100.554686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554686 (E_RNA)
where:
Base-Base interactions energy: -49.326
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.171
local terms energy: -51.057654
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: 3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -90.834472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834472 (E_RNA)
where:
Base-Base interactions energy: -28.926
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.118
local terms energy: -61.791443
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -114.108742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.108742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.108742 (E_RNA)
where:
Base-Base interactions energy: -51.148
where: short stacking energy: -31.356
Base-Backbone interact. energy: -0.312
local terms energy: -62.649042
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -90.341368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.341368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.341368 (E_RNA)
where:
Base-Base interactions energy: -43.983
where: short stacking energy: -24.227
Base-Backbone interact. energy: 0.078
local terms energy: -46.435874
where:
bonds (distance) C4'-P energy: -5.432
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -88.386011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.386011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.386011 (E_RNA)
where:
Base-Base interactions energy: -27.098
where: short stacking energy: -26.691
Base-Backbone interact. energy: -0.193
local terms energy: -61.094759
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -219.335498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.335498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.335498 (E_RNA)
where:
Base-Base interactions energy: -135.314
where: short stacking energy: -57.287
Base-Backbone interact. energy: -0.395
local terms energy: -83.625909
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -215.580077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580077 (E_RNA)
where:
Base-Base interactions energy: -129.940
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.652
local terms energy: -84.988271
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -182.586705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.586705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.586705 (E_RNA)
where:
Base-Base interactions energy: -110.254
where: short stacking energy: -60.242
Base-Backbone interact. energy: -2.027
local terms energy: -70.306237
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -161.592728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.592728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.592728 (E_RNA)
where:
Base-Base interactions energy: -99.468
where: short stacking energy: -49.098
Base-Backbone interact. energy: -1.133
local terms energy: -60.992350
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -128.107551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.107551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.107551 (E_RNA)
where:
Base-Base interactions energy: -68.034
where: short stacking energy: -49.374
Base-Backbone interact. energy: -0.387
local terms energy: -59.686839
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -94.092178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.092178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.092178 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.220
local terms energy: -59.248934
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -102.390069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.390069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.390069 (E_RNA)
where:
Base-Base interactions energy: -47.776
where: short stacking energy: -39.121
Base-Backbone interact. energy: -0.233
local terms energy: -54.381512
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -108.608699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.608699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.608699 (E_RNA)
where:
Base-Base interactions energy: -55.083
where: short stacking energy: -41.961
Base-Backbone interact. energy: -0.040
local terms energy: -53.485333
where:
bonds (distance) C4'-P energy: -7.581
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -89.133414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.133414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.133414 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.015
local terms energy: -50.556343
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -73.888047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.888047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.888047 (E_RNA)
where:
Base-Base interactions energy: -24.540
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.166
local terms energy: -49.181495
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -222.422013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.422013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.422013 (E_RNA)
where:
Base-Base interactions energy: -136.620
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.004
local terms energy: -85.797590
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -216.889806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.889806 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.009
local terms energy: -80.577330
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -184.247279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.247279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.247279 (E_RNA)
where:
Base-Base interactions energy: -106.710
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.103
local terms energy: -77.434336
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -159.661413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.661413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.661413 (E_RNA)
where:
Base-Base interactions energy: -91.828
where: short stacking energy: -50.663
Base-Backbone interact. energy: -0.421
local terms energy: -67.411793
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -123.307015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.307015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.307015 (E_RNA)
where:
Base-Base interactions energy: -63.325
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.400
local terms energy: -59.581585
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -111.765879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.765879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.765879 (E_RNA)
where:
Base-Base interactions energy: -52.305
where: short stacking energy: -44.274
Base-Backbone interact. energy: -0.046
local terms energy: -59.414439
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -99.691141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.691141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.691141 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.406
local terms energy: -46.713633
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -80.218132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.218132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.218132 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.299
local terms energy: -45.558247
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -80.549099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549099 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -30.567
Base-Backbone interact. energy: -0.232
local terms energy: -48.201573
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -81.456672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456672 (E_RNA)
where:
Base-Base interactions energy: -28.078
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.129
local terms energy: -53.249034
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -221.318360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.318360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.318360 (E_RNA)
where:
Base-Base interactions energy: -138.228
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.795
local terms energy: -82.295459
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -216.094149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.094149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.094149 (E_RNA)
where:
Base-Base interactions energy: -137.904
where: short stacking energy: -68.831
Base-Backbone interact. energy: 0.697
local terms energy: -78.887414
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -183.880942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.880942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.880942 (E_RNA)
where:
Base-Base interactions energy: -114.430
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.102
local terms energy: -69.349035
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -129.528040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.528040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.528040 (E_RNA)
where:
Base-Base interactions energy: -66.189
where: short stacking energy: -49.788
Base-Backbone interact. energy: -0.064
local terms energy: -63.275492
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -107.202207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.202207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.202207 (E_RNA)
where:
Base-Base interactions energy: -49.292
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.147
local terms energy: -57.763076
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -116.966297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.966297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.966297 (E_RNA)
where:
Base-Base interactions energy: -63.101
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.016
local terms energy: -53.848564
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.487203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.487203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.487203 (E_RNA)
where:
Base-Base interactions energy: -32.779
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.173
local terms energy: -57.535490
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -92.406214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.406214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.406214 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -36.387
Base-Backbone interact. energy: -0.056
local terms energy: -55.962944
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -88.462298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.462298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.462298 (E_RNA)
where:
Base-Base interactions energy: -25.082
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.153
local terms energy: -63.227476
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -85.436135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.436135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.436135 (E_RNA)
where:
Base-Base interactions energy: -42.816
where: short stacking energy: -32.507
Base-Backbone interact. energy: 1.025
local terms energy: -43.645886
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: 5.207
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -222.629025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.629025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.629025 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -76.461
Base-Backbone interact. energy: -0.011
local terms energy: -81.434790
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -209.854920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.854920 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -60.924
Base-Backbone interact. energy: 0.307
local terms energy: -77.441564
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -181.440454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.440454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.440454 (E_RNA)
where:
Base-Base interactions energy: -105.483
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.114
local terms energy: -75.843923
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -139.922297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.922297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.922297 (E_RNA)
where:
Base-Base interactions energy: -72.799
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.212
local terms energy: -66.911144
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -124.771590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.771590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.771590 (E_RNA)
where:
Base-Base interactions energy: -58.373
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.001
local terms energy: -66.397193
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -93.116300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.116300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.116300 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -26.758
Base-Backbone interact. energy: -0.488
local terms energy: -62.705818
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -105.272379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.272379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.272379 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -43.542
Base-Backbone interact. energy: -0.065
local terms energy: -61.367851
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -91.721409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.721409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.721409 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -35.701
Base-Backbone interact. energy: -0.197
local terms energy: -55.822576
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -94.088320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.088320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.088320 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.936
local terms energy: -53.013040
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -92.093254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.093254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.093254 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.107
local terms energy: -58.345887
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -222.189622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.189622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.189622 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.038
local terms energy: -78.425809
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -213.241751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.241751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.241751 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -68.410
Base-Backbone interact. energy: 0.983
local terms energy: -77.530011
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -175.365226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.365226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.365226 (E_RNA)
where:
Base-Base interactions energy: -109.324
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.028
local terms energy: -66.013593
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -114.324001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.324001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.324001 (E_RNA)
where:
Base-Base interactions energy: -60.173
where: short stacking energy: -38.564
Base-Backbone interact. energy: -0.030
local terms energy: -54.120329
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -128.322678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.322678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.322678 (E_RNA)
where:
Base-Base interactions energy: -57.085
where: short stacking energy: -48.152
Base-Backbone interact. energy: 1.254
local terms energy: -72.491301
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -106.133305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.133305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.133305 (E_RNA)
where:
Base-Base interactions energy: -43.443
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.326
local terms energy: -62.364356
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -94.806365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.806365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.806365 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.138
local terms energy: -56.381096
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -113.765717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.765717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.765717 (E_RNA)
where:
Base-Base interactions energy: -61.970
where: short stacking energy: -31.120
Base-Backbone interact. energy: 0.513
local terms energy: -52.309464
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -97.929936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.929936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.929936 (E_RNA)
where:
Base-Base interactions energy: -42.418
where: short stacking energy: -15.982
Base-Backbone interact. energy: -0.232
local terms energy: -55.279853
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -69.068816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.068816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.068816 (E_RNA)
where:
Base-Base interactions energy: -24.904
where: short stacking energy: -16.893
Base-Backbone interact. energy: -0.902
local terms energy: -43.263453
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: 4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -205.677525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.677525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.677525 (E_RNA)
where:
Base-Base interactions energy: -128.129
where: short stacking energy: -54.253
Base-Backbone interact. energy: -0.716
local terms energy: -76.832325
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -212.054083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.054083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.054083 (E_RNA)
where:
Base-Base interactions energy: -131.321
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.761
local terms energy: -79.972293
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -178.553590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.553590 (E_RNA)
where:
Base-Base interactions energy: -102.640
where: short stacking energy: -50.890
Base-Backbone interact. energy: -1.725
local terms energy: -74.188001
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -121.291337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.291337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.291337 (E_RNA)
where:
Base-Base interactions energy: -56.493
where: short stacking energy: -39.579
Base-Backbone interact. energy: -0.183
local terms energy: -64.614620
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -98.074320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.074320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.074320 (E_RNA)
where:
Base-Base interactions energy: -45.245
where: short stacking energy: -31.559
Base-Backbone interact. energy: -0.029
local terms energy: -52.800613
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -97.978046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.978046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.978046 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -35.937
Base-Backbone interact. energy: 1.122
local terms energy: -60.423732
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -148.286060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.286060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.286060 (E_RNA)
where:
Base-Base interactions energy: -84.286
where: short stacking energy: -45.496
Base-Backbone interact. energy: 0.617
local terms energy: -64.617347
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -94.886238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.886238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.886238 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -23.887
Base-Backbone interact. energy: -0.230
local terms energy: -57.809686
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -132.140112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.140112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.140112 (E_RNA)
where:
Base-Base interactions energy: -75.301
where: short stacking energy: -37.220
Base-Backbone interact. energy: -0.040
local terms energy: -56.799363
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -83.303321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.303321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.303321 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -22.177
Base-Backbone interact. energy: -0.108
local terms energy: -56.332527
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -204.897184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.897184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.897184 (E_RNA)
where:
Base-Base interactions energy: -130.059
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.091
local terms energy: -74.747531
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -212.036031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.036031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.036031 (E_RNA)
where:
Base-Base interactions energy: -135.600
where: short stacking energy: -65.441
Base-Backbone interact. energy: -0.438
local terms energy: -75.997707
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -169.533948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.533948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.533948 (E_RNA)
where:
Base-Base interactions energy: -101.218
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.059
local terms energy: -68.256357
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -116.656238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.656238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.656238 (E_RNA)
where:
Base-Base interactions energy: -55.434
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.046
local terms energy: -61.176509
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -118.640885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.640885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.640885 (E_RNA)
where:
Base-Base interactions energy: -55.033
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.156
local terms energy: -63.451700
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -160.426479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.426479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.426479 (E_RNA)
where:
Base-Base interactions energy: -100.677
where: short stacking energy: -54.010
Base-Backbone interact. energy: -0.115
local terms energy: -59.634134
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -97.109742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.109742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.109742 (E_RNA)
where:
Base-Base interactions energy: -31.679
where: short stacking energy: -30.899
Base-Backbone interact. energy: -1.455
local terms energy: -63.975590
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -94.792488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792488 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -25.604
Base-Backbone interact. energy: -0.287
local terms energy: -49.251405
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -75.178759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178759 (E_RNA)
where:
Base-Base interactions energy: -21.235
where: short stacking energy: -21.235
Base-Backbone interact. energy: -0.200
local terms energy: -53.743660
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: 4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -79.143875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.143875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.143875 (E_RNA)
where:
Base-Base interactions energy: -37.931
where: short stacking energy: -33.580
Base-Backbone interact. energy: -0.645
local terms energy: -40.567346
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -220.567961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.567961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567961 (E_RNA)
where:
Base-Base interactions energy: -134.837
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.517
local terms energy: -85.214006
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -213.954323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.954323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.954323 (E_RNA)
where:
Base-Base interactions energy: -136.990
where: short stacking energy: -65.293
Base-Backbone interact. energy: -0.146
local terms energy: -76.818354
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -192.268944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.268944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.268944 (E_RNA)
where:
Base-Base interactions energy: -116.860
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.139
local terms energy: -75.270387
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -130.542586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.542586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.542586 (E_RNA)
where:
Base-Base interactions energy: -66.243
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.166
local terms energy: -64.133292
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -128.350428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.350428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.350428 (E_RNA)
where:
Base-Base interactions energy: -67.643
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.011
local terms energy: -60.696783
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -101.562737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.562737 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.363
local terms energy: -60.571459
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -93.294807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.294807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.294807 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -40.238
Base-Backbone interact. energy: -1.455
local terms energy: -49.664622
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -7.814
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -95.657038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657038 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -35.944
Base-Backbone interact. energy: -0.830
local terms energy: -58.373051
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -78.964324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.964324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.964324 (E_RNA)
where:
Base-Base interactions energy: -35.000
where: short stacking energy: -33.673
Base-Backbone interact. energy: -0.296
local terms energy: -43.667912
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -8.139
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -78.335827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.335827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.335827 (E_RNA)
where:
Base-Base interactions energy: -26.884
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.256
local terms energy: -51.195477
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: 1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -217.101974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.101974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.101974 (E_RNA)
where:
Base-Base interactions energy: -139.246
where: short stacking energy: -57.296
Base-Backbone interact. energy: 0.207
local terms energy: -78.062824
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -210.420443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.420443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.420443 (E_RNA)
where:
Base-Base interactions energy: -134.263
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.205
local terms energy: -75.952152
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -202.595728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.595728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.595728 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.403
local terms energy: -80.304144
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -21.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -110.320798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.320798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.320798 (E_RNA)
where:
Base-Base interactions energy: -42.788
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.992
local terms energy: -66.540382
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -149.294347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.294347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.294347 (E_RNA)
where:
Base-Base interactions energy: -88.712
where: short stacking energy: -49.833
Base-Backbone interact. energy: -0.061
local terms energy: -60.521367
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -101.082084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.082084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.082084 (E_RNA)
where:
Base-Base interactions energy: -39.992
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.232
local terms energy: -60.858117
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -96.970487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.970487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.970487 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -36.891
Base-Backbone interact. energy: -1.966
local terms energy: -53.158794
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -98.791665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.791665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.791665 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -38.254
Base-Backbone interact. energy: -0.526
local terms energy: -59.928327
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -92.086666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.086666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.086666 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -29.780
Base-Backbone interact. energy: -0.104
local terms energy: -51.322011
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -80.470514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.470514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.470514 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.027
local terms energy: -39.612531
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -9.239
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -225.647818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.647818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.647818 (E_RNA)
where:
Base-Base interactions energy: -145.547
where: short stacking energy: -64.947
Base-Backbone interact. energy: -1.474
local terms energy: -78.626329
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -209.433398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433398 (E_RNA)
where:
Base-Base interactions energy: -131.653
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.502
local terms energy: -77.277583
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -214.251586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.251586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.251586 (E_RNA)
where:
Base-Base interactions energy: -141.821
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.010
local terms energy: -72.421047
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -119.038685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.038685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.038685 (E_RNA)
where:
Base-Base interactions energy: -60.761
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.149
local terms energy: -58.128792
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -163.373731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.373731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.373731 (E_RNA)
where:
Base-Base interactions energy: -88.914
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.042
local terms energy: -74.417526
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -92.714651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.714651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.714651 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -29.651
Base-Backbone interact. energy: 2.432
local terms energy: -62.386815
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -93.027661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.027661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.027661 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -21.849
Base-Backbone interact. energy: -0.364
local terms energy: -53.367798
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -97.206671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.206671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.206671 (E_RNA)
where:
Base-Base interactions energy: -47.757
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.116
local terms energy: -49.333794
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -105.213237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.213237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.213237 (E_RNA)
where:
Base-Base interactions energy: -49.959
where: short stacking energy: -40.238
Base-Backbone interact. energy: -0.882
local terms energy: -54.372049
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -80.438366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.438366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.438366 (E_RNA)
where:
Base-Base interactions energy: -35.390
where: short stacking energy: -30.363
Base-Backbone interact. energy: 1.903
local terms energy: -46.951690
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -211.856989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.856989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.856989 (E_RNA)
where:
Base-Base interactions energy: -134.035
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.644
local terms energy: -77.177939
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -212.709984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.709984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.709984 (E_RNA)
where:
Base-Base interactions energy: -134.474
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.282
local terms energy: -77.953831
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -205.940620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.940620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.940620 (E_RNA)
where:
Base-Base interactions energy: -130.337
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.108
local terms energy: -75.495659
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -178.312244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.312244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.312244 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -46.749
Base-Backbone interact. energy: -0.082
local terms energy: -63.391832
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -105.427555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.427555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.427555 (E_RNA)
where:
Base-Base interactions energy: -53.571
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.453
local terms energy: -51.403310
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -93.942110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.942110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.942110 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -36.483
Base-Backbone interact. energy: -0.150
local terms energy: -54.827353
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -93.421549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.421549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.421549 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -35.661
Base-Backbone interact. energy: 0.229
local terms energy: -50.375951
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -82.304453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.304453 (E_RNA)
where:
Base-Base interactions energy: -27.715
where: short stacking energy: -25.877
Base-Backbone interact. energy: -0.234
local terms energy: -54.355572
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -84.187660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.187660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.187660 (E_RNA)
where:
Base-Base interactions energy: -26.709
where: short stacking energy: -26.246
Base-Backbone interact. energy: -0.083
local terms energy: -57.395035
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -79.246128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.246128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.246128 (E_RNA)
where:
Base-Base interactions energy: -23.126
where: short stacking energy: -21.759
Base-Backbone interact. energy: -0.152
local terms energy: -55.968304
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -216.615974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.615974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.615974 (E_RNA)
where:
Base-Base interactions energy: -137.425
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.013
local terms energy: -79.178086
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -213.743616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.743616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.743616 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -67.272
Base-Backbone interact. energy: -0.002
local terms energy: -75.190787
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -207.152379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.152379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.152379 (E_RNA)
where:
Base-Base interactions energy: -125.844
where: short stacking energy: -55.870
Base-Backbone interact. energy: -0.413
local terms energy: -80.895559
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -166.797153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.797153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.797153 (E_RNA)
where:
Base-Base interactions energy: -104.326
where: short stacking energy: -44.171
Base-Backbone interact. energy: -1.125
local terms energy: -61.345998
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -104.888994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.888994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.888994 (E_RNA)
where:
Base-Base interactions energy: -48.319
where: short stacking energy: -40.724
Base-Backbone interact. energy: -0.037
local terms energy: -56.533270
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -107.654163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.654163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.654163 (E_RNA)
where:
Base-Base interactions energy: -47.999
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.245
local terms energy: -59.409330
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -87.656284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.656284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.656284 (E_RNA)
where:
Base-Base interactions energy: -29.447
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.008
local terms energy: -58.200714
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -93.871672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871672 (E_RNA)
where:
Base-Base interactions energy: -44.939
where: short stacking energy: -33.777
Base-Backbone interact. energy: -0.264
local terms energy: -48.668327
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -89.261716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.261716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.261716 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -26.691
Base-Backbone interact. energy: 0.288
local terms energy: -51.948149
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -88.598699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598699 (E_RNA)
where:
Base-Base interactions energy: -36.599
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.050
local terms energy: -51.950066
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -211.173087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.173087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.173087 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.719
local terms energy: -82.628527
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -210.321092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.321092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.321092 (E_RNA)
where:
Base-Base interactions energy: -132.182
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.000
local terms energy: -78.138852
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -210.001265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001265 (E_RNA)
where:
Base-Base interactions energy: -129.150
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.088
local terms energy: -80.763506
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -167.685862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.685862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.685862 (E_RNA)
where:
Base-Base interactions energy: -97.200
where: short stacking energy: -54.004
Base-Backbone interact. energy: -0.855
local terms energy: -69.631193
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -104.443582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.443582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.443582 (E_RNA)
where:
Base-Base interactions energy: -48.319
where: short stacking energy: -36.138
Base-Backbone interact. energy: 0.870
local terms energy: -56.994760
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -108.908345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.908345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.908345 (E_RNA)
where:
Base-Base interactions energy: -53.669
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.203
local terms energy: -55.035858
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -96.869671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.869671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.869671 (E_RNA)
where:
Base-Base interactions energy: -45.633
where: short stacking energy: -24.553
Base-Backbone interact. energy: -0.408
local terms energy: -50.827951
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -94.550642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.550642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.550642 (E_RNA)
where:
Base-Base interactions energy: -30.185
where: short stacking energy: -30.185
Base-Backbone interact. energy: -0.128
local terms energy: -64.237546
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -84.433377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.433377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.433377 (E_RNA)
where:
Base-Base interactions energy: -36.013
where: short stacking energy: -20.912
Base-Backbone interact. energy: -0.453
local terms energy: -47.966856
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -98.345140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.345140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.345140 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -34.548
Base-Backbone interact. energy: -0.112
local terms energy: -59.982202
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -219.444208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.444208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.444208 (E_RNA)
where:
Base-Base interactions energy: -140.989
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.141
local terms energy: -78.314299
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -212.563883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.563883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.563883 (E_RNA)
where:
Base-Base interactions energy: -131.491
where: short stacking energy: -55.601
Base-Backbone interact. energy: -1.338
local terms energy: -79.734524
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -212.888871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888871 (E_RNA)
where:
Base-Base interactions energy: -136.516
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.011
local terms energy: -76.362347
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -158.510527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.510527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.510527 (E_RNA)
where:
Base-Base interactions energy: -87.047
where: short stacking energy: -46.762
Base-Backbone interact. energy: -0.478
local terms energy: -70.986264
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -106.591661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591661 (E_RNA)
where:
Base-Base interactions energy: -56.033
where: short stacking energy: -47.907
Base-Backbone interact. energy: -0.219
local terms energy: -50.338889
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -122.860853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.860853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.860853 (E_RNA)
where:
Base-Base interactions energy: -72.975
where: short stacking energy: -41.349
Base-Backbone interact. energy: -0.217
local terms energy: -49.668576
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -105.519277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.519277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.519277 (E_RNA)
where:
Base-Base interactions energy: -46.449
where: short stacking energy: -43.336
Base-Backbone interact. energy: 1.565
local terms energy: -60.635260
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -94.276498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276498 (E_RNA)
where:
Base-Base interactions energy: -38.204
where: short stacking energy: -33.250
Base-Backbone interact. energy: 0.495
local terms energy: -56.567051
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -87.614425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.614425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.614425 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -27.380
Base-Backbone interact. energy: -1.002
local terms energy: -49.176341
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -78.897579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.897579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.897579 (E_RNA)
where:
Base-Base interactions energy: -26.247
where: short stacking energy: -22.268
Base-Backbone interact. energy: -0.422
local terms energy: -52.229075
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -219.885619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.885619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.885619 (E_RNA)
where:
Base-Base interactions energy: -143.395
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.053
local terms energy: -76.437687
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -215.054415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054415 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.007
local terms energy: -71.488862
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -202.414547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.414547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.414547 (E_RNA)
where:
Base-Base interactions energy: -129.878
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.006
local terms energy: -72.530355
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -168.896401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.896401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.896401 (E_RNA)
where:
Base-Base interactions energy: -91.983
where: short stacking energy: -50.269
Base-Backbone interact. energy: -0.003
local terms energy: -76.910392
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -107.457985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.457985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.457985 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -43.603
Base-Backbone interact. energy: -0.102
local terms energy: -63.753152
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -113.586917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.586917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.586917 (E_RNA)
where:
Base-Base interactions energy: -51.738
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.353
local terms energy: -61.495942
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -101.389564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.389564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.389564 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -39.069
Base-Backbone interact. energy: -0.009
local terms energy: -62.310878
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -92.681158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.681158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.681158 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.469
local terms energy: -58.563129
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -82.412346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.412346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.412346 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.015
local terms energy: -54.349832
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -80.236336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.236336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.236336 (E_RNA)
where:
Base-Base interactions energy: -28.010
where: short stacking energy: -25.748
Base-Backbone interact. energy: -0.330
local terms energy: -51.895692
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: 1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -224.667348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.667348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.667348 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.432
local terms energy: -81.796635
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -217.730056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.730056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.730056 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -54.503
Base-Backbone interact. energy: -1.134
local terms energy: -79.047636
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -207.307705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.307705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.307705 (E_RNA)
where:
Base-Base interactions energy: -123.459
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.134
local terms energy: -83.715108
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -156.382828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.382828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.382828 (E_RNA)
where:
Base-Base interactions energy: -88.332
where: short stacking energy: -49.713
Base-Backbone interact. energy: -0.276
local terms energy: -67.774820
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -116.414694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.414694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.414694 (E_RNA)
where:
Base-Base interactions energy: -56.572
where: short stacking energy: -46.662
Base-Backbone interact. energy: -0.086
local terms energy: -59.756803
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -97.454222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.454222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.454222 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -32.732
Base-Backbone interact. energy: -0.945
local terms energy: -53.308785
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -90.453331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.453331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.453331 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -25.217
Base-Backbone interact. energy: -0.402
local terms energy: -53.650452
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -89.154806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154806 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -22.687
Base-Backbone interact. energy: 0.222
local terms energy: -54.051769
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -83.021174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.021174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.021174 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -24.717
Base-Backbone interact. energy: -0.158
local terms energy: -51.394546
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -88.427520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.427520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.427520 (E_RNA)
where:
Base-Base interactions energy: -34.844
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.327
local terms energy: -53.255781
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -222.082631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.082631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.082631 (E_RNA)
where:
Base-Base interactions energy: -143.654
where: short stacking energy: -59.886
Base-Backbone interact. energy: -0.080
local terms energy: -78.348676
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -222.073987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.073987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.073987 (E_RNA)
where:
Base-Base interactions energy: -135.772
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.009
local terms energy: -86.293021
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -211.974590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.974590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.974590 (E_RNA)
where:
Base-Base interactions energy: -137.217
where: short stacking energy: -68.378
Base-Backbone interact. energy: -0.002
local terms energy: -74.756385
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -164.931822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.931822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.931822 (E_RNA)
where:
Base-Base interactions energy: -95.993
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.670
local terms energy: -68.268138
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -129.065274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.065274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.065274 (E_RNA)
where:
Base-Base interactions energy: -58.356
where: short stacking energy: -50.495
Base-Backbone interact. energy: -0.311
local terms energy: -70.398328
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -84.326381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.326381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.326381 (E_RNA)
where:
Base-Base interactions energy: -31.349
where: short stacking energy: -24.764
Base-Backbone interact. energy: -0.283
local terms energy: -52.694583
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -97.209666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.209666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.209666 (E_RNA)
where:
Base-Base interactions energy: -38.497
where: short stacking energy: -33.671
Base-Backbone interact. energy: -0.323
local terms energy: -58.390352
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -106.008581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.008581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.008581 (E_RNA)
where:
Base-Base interactions energy: -53.420
where: short stacking energy: -31.982
Base-Backbone interact. energy: -0.043
local terms energy: -52.545616
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -76.170134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.170134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.170134 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -24.904
Base-Backbone interact. energy: -0.417
local terms energy: -41.916331
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: 4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -73.608841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.608841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.608841 (E_RNA)
where:
Base-Base interactions energy: -22.157
where: short stacking energy: -16.399
Base-Backbone interact. energy: -0.191
local terms energy: -51.260480
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -218.191144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.191144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.191144 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.028
local terms energy: -83.331121
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -204.421098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.421098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.421098 (E_RNA)
where:
Base-Base interactions energy: -123.689
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.017
local terms energy: -80.714692
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -215.742782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.742782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.742782 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.103
local terms energy: -71.268316
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -176.248778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.248778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.248778 (E_RNA)
where:
Base-Base interactions energy: -105.413
where: short stacking energy: -59.058
Base-Backbone interact. energy: 2.130
local terms energy: -72.965451
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -109.085473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.085473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.085473 (E_RNA)
where:
Base-Base interactions energy: -41.075
where: short stacking energy: -37.032
Base-Backbone interact. energy: 0.382
local terms energy: -68.392781
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -113.179639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.179639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.179639 (E_RNA)
where:
Base-Base interactions energy: -52.421
where: short stacking energy: -47.922
Base-Backbone interact. energy: 1.453
local terms energy: -62.211530
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -101.460034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.460034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.460034 (E_RNA)
where:
Base-Base interactions energy: -48.763
where: short stacking energy: -35.697
Base-Backbone interact. energy: -0.029
local terms energy: -52.668056
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -95.317146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317146 (E_RNA)
where:
Base-Base interactions energy: -40.397
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.022
local terms energy: -54.897568
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -87.416154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.416154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.416154 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -32.420
Base-Backbone interact. energy: 0.192
local terms energy: -49.570561
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.041542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.041542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.041542 (E_RNA)
where:
Base-Base interactions energy: -26.471
where: short stacking energy: -26.471
Base-Backbone interact. energy: -0.087
local terms energy: -50.483522
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -218.512625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.512625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.512625 (E_RNA)
where:
Base-Base interactions energy: -135.451
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.587
local terms energy: -82.474871
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -214.179930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.179930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.179930 (E_RNA)
where:
Base-Base interactions energy: -132.106
where: short stacking energy: -54.316
Base-Backbone interact. energy: -0.136
local terms energy: -81.938201
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -204.742947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.742947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.742947 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.367
local terms energy: -69.467834
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -164.377857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.377857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.377857 (E_RNA)
where:
Base-Base interactions energy: -94.722
where: short stacking energy: -53.538
Base-Backbone interact. energy: -1.626
local terms energy: -68.029373
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -116.134701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.134701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.134701 (E_RNA)
where:
Base-Base interactions energy: -60.943
where: short stacking energy: -37.492
Base-Backbone interact. energy: -1.742
local terms energy: -53.449630
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -2.048
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -112.313819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.313819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.313819 (E_RNA)
where:
Base-Base interactions energy: -54.292
where: short stacking energy: -44.570
Base-Backbone interact. energy: -0.910
local terms energy: -57.111049
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -103.672807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.672807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.672807 (E_RNA)
where:
Base-Base interactions energy: -46.120
where: short stacking energy: -41.755
Base-Backbone interact. energy: 0.294
local terms energy: -57.846586
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -86.888326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888326 (E_RNA)
where:
Base-Base interactions energy: -34.641
where: short stacking energy: -34.641
Base-Backbone interact. energy: -0.316
local terms energy: -51.930837
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -83.907677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907677 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -23.210
Base-Backbone interact. energy: -0.346
local terms energy: -53.978633
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -76.695752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.695752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.695752 (E_RNA)
where:
Base-Base interactions energy: -29.416
where: short stacking energy: -26.440
Base-Backbone interact. energy: 0.126
local terms energy: -47.405669
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -220.886484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.886484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.886484 (E_RNA)
where:
Base-Base interactions energy: -138.120
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.290
local terms energy: -82.476124
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -220.138478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.138478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.138478 (E_RNA)
where:
Base-Base interactions energy: -148.798
where: short stacking energy: -67.320
Base-Backbone interact. energy: -2.865
local terms energy: -68.474836
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -205.394632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.394632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.394632 (E_RNA)
where:
Base-Base interactions energy: -123.241
where: short stacking energy: -53.802
Base-Backbone interact. energy: 0.716
local terms energy: -82.869917
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -172.906176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.906176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.906176 (E_RNA)
where:
Base-Base interactions energy: -102.817
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.051
local terms energy: -70.038840
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -105.648712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.648712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.648712 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -46.376
Base-Backbone interact. energy: -0.334
local terms energy: -58.938209
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -92.428237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428237 (E_RNA)
where:
Base-Base interactions energy: -38.215
where: short stacking energy: -30.425
Base-Backbone interact. energy: -0.133
local terms energy: -54.080315
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -88.856423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.856423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.856423 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.515
local terms energy: -50.495956
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -91.826056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.826056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.826056 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -34.113
Base-Backbone interact. energy: -0.030
local terms energy: -51.022449
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: 2.173
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -90.323957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.323957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.323957 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.145
local terms energy: -59.207332
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.803472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.803472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.803472 (E_RNA)
where:
Base-Base interactions energy: -33.919
where: short stacking energy: -27.255
Base-Backbone interact. energy: -0.175
local terms energy: -47.709331
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -221.034187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.034187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.034187 (E_RNA)
where:
Base-Base interactions energy: -140.693
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.013
local terms energy: -80.328318
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -207.990581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.990581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.990581 (E_RNA)
where:
Base-Base interactions energy: -131.385
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.155
local terms energy: -76.451312
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -216.423238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.423238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.423238 (E_RNA)
where:
Base-Base interactions energy: -143.682
where: short stacking energy: -66.493
Base-Backbone interact. energy: -0.764
local terms energy: -71.977260
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -164.656710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.656710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.656710 (E_RNA)
where:
Base-Base interactions energy: -97.400
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.152
local terms energy: -67.104560
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -94.704432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.704432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.704432 (E_RNA)
where:
Base-Base interactions energy: -46.060
where: short stacking energy: -39.372
Base-Backbone interact. energy: -0.081
local terms energy: -48.562648
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -116.521114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.521114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.521114 (E_RNA)
where:
Base-Base interactions energy: -52.111
where: short stacking energy: -41.262
Base-Backbone interact. energy: -0.323
local terms energy: -64.087346
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -103.892578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.892578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.892578 (E_RNA)
where:
Base-Base interactions energy: -45.976
where: short stacking energy: -44.688
Base-Backbone interact. energy: -0.130
local terms energy: -57.786328
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -87.950840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.950840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.950840 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -36.144
Base-Backbone interact. energy: -0.316
local terms energy: -46.153399
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -7.058
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -81.507103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507103 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.029
local terms energy: -45.042268
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -84.659714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.659714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.659714 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -29.861
Base-Backbone interact. energy: -0.233
local terms energy: -54.565782
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -215.589682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.589682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.589682 (E_RNA)
where:
Base-Base interactions energy: -128.766
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.376
local terms energy: -86.447762
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -218.810060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.810060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810060 (E_RNA)
where:
Base-Base interactions energy: -134.080
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.003
local terms energy: -84.726768
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -203.086029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.086029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.086029 (E_RNA)
where:
Base-Base interactions energy: -130.723
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.310
local terms energy: -72.053140
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -162.982970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.982970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.982970 (E_RNA)
where:
Base-Base interactions energy: -96.365
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.416
local terms energy: -66.202842
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -149.742947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.742947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.742947 (E_RNA)
where:
Base-Base interactions energy: -83.598
where: short stacking energy: -42.180
Base-Backbone interact. energy: -0.095
local terms energy: -66.050433
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -98.000414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.000414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.000414 (E_RNA)
where:
Base-Base interactions energy: -52.093
where: short stacking energy: -28.726
Base-Backbone interact. energy: -0.289
local terms energy: -45.618168
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -87.251395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.251395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.251395 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -29.252
Base-Backbone interact. energy: -0.113
local terms energy: -47.286821
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -86.924473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924473 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.063
local terms energy: -55.082261
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -82.794782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.794782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.794782 (E_RNA)
where:
Base-Base interactions energy: -29.645
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.282
local terms energy: -52.867542
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -79.257082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.257082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.257082 (E_RNA)
where:
Base-Base interactions energy: -26.670
where: short stacking energy: -20.574
Base-Backbone interact. energy: -0.052
local terms energy: -52.535059
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -217.711516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.711516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.711516 (E_RNA)
where:
Base-Base interactions energy: -141.380
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.244
local terms energy: -76.087530
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -212.127372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.127372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.127372 (E_RNA)
where:
Base-Base interactions energy: -133.603
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.947
local terms energy: -77.577544
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -210.152942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152942 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.145
local terms energy: -76.905602
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -164.183922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.183922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.183922 (E_RNA)
where:
Base-Base interactions energy: -93.507
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.186
local terms energy: -70.490733
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -178.545096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.545096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.545096 (E_RNA)
where:
Base-Base interactions energy: -103.898
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.005
local terms energy: -74.642216
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -107.817320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.817320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.817320 (E_RNA)
where:
Base-Base interactions energy: -48.823
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.198
local terms energy: -58.796116
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -89.095534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.095534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.095534 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.101
local terms energy: -56.546750
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -92.842695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.842695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.842695 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.094
local terms energy: -50.033444
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -82.896199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.896199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.896199 (E_RNA)
where:
Base-Base interactions energy: -27.114
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.291
local terms energy: -55.490795
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -82.428170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.428170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.428170 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.106
local terms energy: -50.994833
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -219.467697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.467697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.467697 (E_RNA)
where:
Base-Base interactions energy: -143.441
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.310
local terms energy: -75.716344
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -215.882324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.882324 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.416
local terms energy: -76.783222
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -213.391387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.391387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.391387 (E_RNA)
where:
Base-Base interactions energy: -137.745
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.210
local terms energy: -75.436175
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -168.219041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.219041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.219041 (E_RNA)
where:
Base-Base interactions energy: -95.965
where: short stacking energy: -54.596
Base-Backbone interact. energy: -2.852
local terms energy: -69.402076
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -140.632528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.632528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.632528 (E_RNA)
where:
Base-Base interactions energy: -81.486
where: short stacking energy: -30.834
Base-Backbone interact. energy: -1.032
local terms energy: -58.115075
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -102.817758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.817758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.817758 (E_RNA)
where:
Base-Base interactions energy: -47.030
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.011
local terms energy: -55.776518
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -99.951952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.951952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.951952 (E_RNA)
where:
Base-Base interactions energy: -43.240
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.056
local terms energy: -56.656033
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -98.714268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.714268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.714268 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -29.897
Base-Backbone interact. energy: -0.797
local terms energy: -66.400745
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -92.767385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.767385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.767385 (E_RNA)
where:
Base-Base interactions energy: -45.062
where: short stacking energy: -24.312
Base-Backbone interact. energy: -0.131
local terms energy: -47.573932
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -88.393861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.393861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.393861 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -38.390
Base-Backbone interact. energy: 2.050
local terms energy: -51.649777
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -221.494966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.494966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.494966 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -59.697
Base-Backbone interact. energy: -0.125
local terms energy: -77.581330
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -207.554858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.554858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.554858 (E_RNA)
where:
Base-Base interactions energy: -132.518
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.480
local terms energy: -74.557317
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -218.769408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.769408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.769408 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.114
local terms energy: -77.973049
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -168.078500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.078500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.078500 (E_RNA)
where:
Base-Base interactions energy: -96.082
where: short stacking energy: -53.074
Base-Backbone interact. energy: -1.451
local terms energy: -70.545173
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -161.694075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.694075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.694075 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -55.206
Base-Backbone interact. energy: -0.067
local terms energy: -69.426033
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -97.175077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.175077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.175077 (E_RNA)
where:
Base-Base interactions energy: -44.137
where: short stacking energy: -40.455
Base-Backbone interact. energy: 1.533
local terms energy: -54.571352
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -90.658322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.658322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.658322 (E_RNA)
where:
Base-Base interactions energy: -34.748
where: short stacking energy: -34.748
Base-Backbone interact. energy: -0.181
local terms energy: -55.728904
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -94.845983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.845983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.845983 (E_RNA)
where:
Base-Base interactions energy: -39.007
where: short stacking energy: -30.215
Base-Backbone interact. energy: -0.727
local terms energy: -55.111869
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -85.316960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.316960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.316960 (E_RNA)
where:
Base-Base interactions energy: -28.401
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.113
local terms energy: -56.803347
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -79.638589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.638589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.638589 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.348
local terms energy: -42.706224
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -0.319
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -223.997458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.997458 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.002
local terms energy: -80.736356
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -215.739699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.739699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.739699 (E_RNA)
where:
Base-Base interactions energy: -140.105
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.006
local terms energy: -75.627878
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -216.602278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.602278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.602278 (E_RNA)
where:
Base-Base interactions energy: -138.189
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.670
local terms energy: -77.743042
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -176.674925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.674925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.674925 (E_RNA)
where:
Base-Base interactions energy: -99.082
where: short stacking energy: -51.047
Base-Backbone interact. energy: -0.188
local terms energy: -77.404578
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -171.342684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.342684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.342684 (E_RNA)
where:
Base-Base interactions energy: -98.314
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.994
local terms energy: -72.034747
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -92.983969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983969 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.002
local terms energy: -57.145528
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -87.166111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.166111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.166111 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -33.451
Base-Backbone interact. energy: -0.142
local terms energy: -51.683996
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -93.392477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392477 (E_RNA)
where:
Base-Base interactions energy: -34.652
where: short stacking energy: -34.445
Base-Backbone interact. energy: -0.117
local terms energy: -58.623369
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -82.533309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.533309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.533309 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.139
Base-Backbone interact. energy: -0.242
local terms energy: -53.152386
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -94.432089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.432089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.432089 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.474
local terms energy: -52.933767
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -223.718612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.718612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.718612 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.003
local terms energy: -84.363303
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -209.288992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.288992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.288992 (E_RNA)
where:
Base-Base interactions energy: -129.584
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.021
local terms energy: -79.684121
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -211.531724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.531724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.531724 (E_RNA)
where:
Base-Base interactions energy: -140.714
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.134
local terms energy: -70.683579
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -173.711558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.711558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.711558 (E_RNA)
where:
Base-Base interactions energy: -101.211
where: short stacking energy: -55.104
Base-Backbone interact. energy: -2.168
local terms energy: -70.332653
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -172.677948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.677948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.677948 (E_RNA)
where:
Base-Base interactions energy: -98.187
where: short stacking energy: -56.625
Base-Backbone interact. energy: -0.145
local terms energy: -74.345414
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -96.924190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.924190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.924190 (E_RNA)
where:
Base-Base interactions energy: -39.860
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.098
local terms energy: -56.966224
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -112.790699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.790699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.790699 (E_RNA)
where:
Base-Base interactions energy: -54.496
where: short stacking energy: -41.574
Base-Backbone interact. energy: -2.455
local terms energy: -55.838939
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -8.701
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -86.473868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473868 (E_RNA)
where:
Base-Base interactions energy: -30.720
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.583
local terms energy: -55.170907
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -82.150800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.150800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.150800 (E_RNA)
where:
Base-Base interactions energy: -37.256
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.207
local terms energy: -44.687661
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: 2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -78.302037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.302037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.302037 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.120
local terms energy: -44.211546
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -223.010692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.010692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.010692 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -63.649
Base-Backbone interact. energy: -0.077
local terms energy: -82.402994
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -208.172628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.172628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.172628 (E_RNA)
where:
Base-Base interactions energy: -133.764
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.712
local terms energy: -73.696405
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -172.698852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.698852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.698852 (E_RNA)
where:
Base-Base interactions energy: -102.661
where: short stacking energy: -53.957
Base-Backbone interact. energy: -1.631
local terms energy: -68.406495
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -195.454216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.454216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.454216 (E_RNA)
where:
Base-Base interactions energy: -125.127
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.103
local terms energy: -70.223671
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -179.164398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.164398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.164398 (E_RNA)
where:
Base-Base interactions energy: -105.748
where: short stacking energy: -58.311
Base-Backbone interact. energy: -0.425
local terms energy: -72.991097
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -98.437642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.437642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.437642 (E_RNA)
where:
Base-Base interactions energy: -40.893
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.049
local terms energy: -57.495118
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -90.536933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.536933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.536933 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.325
local terms energy: -50.703704
where:
bonds (distance) C4'-P energy: -5.151
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -94.427483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427483 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.035
local terms energy: -58.107456
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -81.925218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.925218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.925218 (E_RNA)
where:
Base-Base interactions energy: -34.645
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.988
local terms energy: -46.291846
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -78.469841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.469841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.469841 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.129
local terms energy: -44.992301
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -227.084227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.084227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.084227 (E_RNA)
where:
Base-Base interactions energy: -150.866
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.166
local terms energy: -76.052406
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -216.908429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.908429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.908429 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -63.765
Base-Backbone interact. energy: -1.660
local terms energy: -81.401004
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -183.243827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243827 (E_RNA)
where:
Base-Base interactions energy: -114.890
where: short stacking energy: -65.572
Base-Backbone interact. energy: -1.796
local terms energy: -66.557546
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -177.015132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.015132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.015132 (E_RNA)
where:
Base-Base interactions energy: -105.227
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.650
local terms energy: -71.138780
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -197.231542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231542 (E_RNA)
where:
Base-Base interactions energy: -118.390
where: short stacking energy: -59.554
Base-Backbone interact. energy: -1.091
local terms energy: -77.750345
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -89.992150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.992150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.992150 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -25.816
Base-Backbone interact. energy: -1.555
local terms energy: -57.668377
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -94.346472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.346472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.346472 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.512
local terms energy: -57.191689
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -94.266244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.266244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.266244 (E_RNA)
where:
Base-Base interactions energy: -34.622
where: short stacking energy: -28.615
Base-Backbone interact. energy: -0.447
local terms energy: -59.196922
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -85.752490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.752490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.752490 (E_RNA)
where:
Base-Base interactions energy: -32.471
where: short stacking energy: -32.471
Base-Backbone interact. energy: -0.058
local terms energy: -53.223302
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -81.880829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.880829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.880829 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.563
local terms energy: -49.399538
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -217.541469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.541469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.541469 (E_RNA)
where:
Base-Base interactions energy: -140.838
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.570
local terms energy: -76.134379
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -216.474731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.474731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.474731 (E_RNA)
where:
Base-Base interactions energy: -142.359
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.034
local terms energy: -74.081612
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -184.994216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.994216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.994216 (E_RNA)
where:
Base-Base interactions energy: -113.716
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.832
local terms energy: -70.445696
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -159.239402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.239402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.239402 (E_RNA)
where:
Base-Base interactions energy: -92.660
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.054
local terms energy: -66.526009
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -202.553012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.553012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.553012 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -52.034
Base-Backbone interact. energy: -1.176
local terms energy: -72.776060
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -112.310339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.310339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.310339 (E_RNA)
where:
Base-Base interactions energy: -52.234
where: short stacking energy: -37.620
Base-Backbone interact. energy: 0.042
local terms energy: -60.118325
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -103.313291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.313291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.313291 (E_RNA)
where:
Base-Base interactions energy: -39.835
where: short stacking energy: -35.849
Base-Backbone interact. energy: -0.181
local terms energy: -63.296382
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -93.869175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.869175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.869175 (E_RNA)
where:
Base-Base interactions energy: -41.579
where: short stacking energy: -41.579
Base-Backbone interact. energy: -0.129
local terms energy: -52.161433
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -82.212010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.212010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.212010 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.727
local terms energy: -54.879919
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: 2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -97.269880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.269880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.269880 (E_RNA)
where:
Base-Base interactions energy: -43.490
where: short stacking energy: -43.194
Base-Backbone interact. energy: -0.075
local terms energy: -53.704442
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -221.573303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.573303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.573303 (E_RNA)
where:
Base-Base interactions energy: -136.126
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.161
local terms energy: -85.286758
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -222.105928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.105928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.105928 (E_RNA)
where:
Base-Base interactions energy: -150.115
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.002
local terms energy: -71.988777
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -173.526924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.526924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.526924 (E_RNA)
where:
Base-Base interactions energy: -99.964
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.906
local terms energy: -72.657442
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -210.052988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.052988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.052988 (E_RNA)
where:
Base-Base interactions energy: -135.109
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.030
local terms energy: -74.914621
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -156.191972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.191972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.191972 (E_RNA)
where:
Base-Base interactions energy: -90.016
where: short stacking energy: -51.926
Base-Backbone interact. energy: 2.020
local terms energy: -68.196312
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -98.936555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.936555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.936555 (E_RNA)
where:
Base-Base interactions energy: -44.667
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.020
local terms energy: -54.250031
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -1.461
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -96.101872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101872 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -32.051
Base-Backbone interact. energy: 0.252
local terms energy: -54.550491
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -91.481752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.481752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.481752 (E_RNA)
where:
Base-Base interactions energy: -36.407
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.194
local terms energy: -54.880436
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -87.487233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.487233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.487233 (E_RNA)
where:
Base-Base interactions energy: -29.573
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.089
local terms energy: -57.825331
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -84.989102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.989102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.989102 (E_RNA)
where:
Base-Base interactions energy: -31.369
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.084
local terms energy: -53.535497
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -215.135682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.135682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.135682 (E_RNA)
where:
Base-Base interactions energy: -132.760
where: short stacking energy: -59.578
Base-Backbone interact. energy: -0.895
local terms energy: -81.480901
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -221.402722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402722 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -71.782
Base-Backbone interact. energy: 2.044
local terms energy: -80.620069
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -208.645495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.645495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.645495 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.006
local terms energy: -78.073743
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -174.398163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.398163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.398163 (E_RNA)
where:
Base-Base interactions energy: -98.186
where: short stacking energy: -45.453
Base-Backbone interact. energy: -2.076
local terms energy: -74.136123
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -100.546406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.546406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.546406 (E_RNA)
where:
Base-Base interactions energy: -41.598
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.094
local terms energy: -58.855078
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -161.767542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.767542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.767542 (E_RNA)
where:
Base-Base interactions energy: -103.669
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.223
local terms energy: -57.875826
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -97.285129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.285129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.285129 (E_RNA)
where:
Base-Base interactions energy: -46.577
where: short stacking energy: -46.577
Base-Backbone interact. energy: -0.080
local terms energy: -50.627521
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -92.308884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.308884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.308884 (E_RNA)
where:
Base-Base interactions energy: -40.113
where: short stacking energy: -23.127
Base-Backbone interact. energy: -0.151
local terms energy: -52.044504
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -89.154939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154939 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.036
local terms energy: -55.266769
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -81.172398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.172398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.172398 (E_RNA)
where:
Base-Base interactions energy: -29.869
where: short stacking energy: -27.432
Base-Backbone interact. energy: -0.156
local terms energy: -51.147301
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -219.321373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.321373 (E_RNA)
where:
Base-Base interactions energy: -133.664
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.072
local terms energy: -85.584862
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -197.989799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.989799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.989799 (E_RNA)
where:
Base-Base interactions energy: -122.794
where: short stacking energy: -58.611
Base-Backbone interact. energy: 0.205
local terms energy: -75.401113
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -221.246520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.246520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.246520 (E_RNA)
where:
Base-Base interactions energy: -142.761
where: short stacking energy: -75.251
Base-Backbone interact. energy: -0.018
local terms energy: -78.467122
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -175.959062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.959062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.959062 (E_RNA)
where:
Base-Base interactions energy: -106.135
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.460
local terms energy: -69.364113
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -118.353243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.353243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.353243 (E_RNA)
where:
Base-Base interactions energy: -50.425
where: short stacking energy: -45.590
Base-Backbone interact. energy: 0.057
local terms energy: -67.984957
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -176.421331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.421331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.421331 (E_RNA)
where:
Base-Base interactions energy: -111.223
where: short stacking energy: -54.082
Base-Backbone interact. energy: 0.035
local terms energy: -65.233484
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -93.951552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.951552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.951552 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -37.524
Base-Backbone interact. energy: 0.270
local terms energy: -56.697776
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -93.127123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.127123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.127123 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -35.499
Base-Backbone interact. energy: 0.318
local terms energy: -54.956865
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -86.071548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.071548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.071548 (E_RNA)
where:
Base-Base interactions energy: -35.444
where: short stacking energy: -35.444
Base-Backbone interact. energy: -0.313
local terms energy: -50.314030
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -88.027020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.027020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.027020 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.103
local terms energy: -55.253537
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -7.493
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -221.974420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.974420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974420 (E_RNA)
where:
Base-Base interactions energy: -141.993
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.241
local terms energy: -79.740374
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -212.291814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.291814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.291814 (E_RNA)
where:
Base-Base interactions energy: -133.905
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.114
local terms energy: -78.273261
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -215.994846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.994846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.994846 (E_RNA)
where:
Base-Base interactions energy: -144.189
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.006
local terms energy: -71.799148
where:
bonds (distance) C4'-P energy: -7.146
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -178.887107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.887107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.887107 (E_RNA)
where:
Base-Base interactions energy: -109.699
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.358
local terms energy: -68.830398
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -164.168155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.168155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.168155 (E_RNA)
where:
Base-Base interactions energy: -90.959
where: short stacking energy: -47.584
Base-Backbone interact. energy: -1.175
local terms energy: -72.033836
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -120.800681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.800681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.800681 (E_RNA)
where:
Base-Base interactions energy: -54.676
where: short stacking energy: -42.739
Base-Backbone interact. energy: -0.029
local terms energy: -66.094915
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -96.239750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.239750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.239750 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -37.566
Base-Backbone interact. energy: -0.084
local terms energy: -52.780766
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -92.631443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.631443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.631443 (E_RNA)
where:
Base-Base interactions energy: -28.105
where: short stacking energy: -23.122
Base-Backbone interact. energy: -0.151
local terms energy: -64.375570
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -86.867814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.867814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.867814 (E_RNA)
where:
Base-Base interactions energy: -39.263
where: short stacking energy: -27.746
Base-Backbone interact. energy: -1.402
local terms energy: -46.203267
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: 3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -76.056711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.056711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.056711 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -15.859
Base-Backbone interact. energy: -0.267
local terms energy: -48.668884
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: 3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -226.474750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.474750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.474750 (E_RNA)
where:
Base-Base interactions energy: -140.763
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.065
local terms energy: -85.646286
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -25.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -219.837277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.837277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.837277 (E_RNA)
where:
Base-Base interactions energy: -142.940
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.069
local terms energy: -76.828003
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -205.930888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.930888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.930888 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.096
local terms energy: -74.089401
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -168.607550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.607550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.607550 (E_RNA)
where:
Base-Base interactions energy: -92.312
where: short stacking energy: -43.518
Base-Backbone interact. energy: -0.867
local terms energy: -75.427838
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -176.603926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603926 (E_RNA)
where:
Base-Base interactions energy: -102.940
where: short stacking energy: -63.470
Base-Backbone interact. energy: 0.088
local terms energy: -73.752094
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -114.425656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.425656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.425656 (E_RNA)
where:
Base-Base interactions energy: -48.917
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.029
local terms energy: -65.479554
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -100.178814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.178814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.178814 (E_RNA)
where:
Base-Base interactions energy: -42.620
where: short stacking energy: -42.620
Base-Backbone interact. energy: -0.002
local terms energy: -57.556925
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -82.140304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.140304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.140304 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.328
local terms energy: -48.298449
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -89.347388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347388 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -37.383
Base-Backbone interact. energy: -0.470
local terms energy: -50.705169
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -82.393087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.393087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.393087 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -32.234
Base-Backbone interact. energy: -0.038
local terms energy: -50.121714
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -227.463423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.463423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.463423 (E_RNA)
where:
Base-Base interactions energy: -148.284
where: short stacking energy: -67.647
Base-Backbone interact. energy: 0.109
local terms energy: -79.289049
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -215.928653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.928653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.928653 (E_RNA)
where:
Base-Base interactions energy: -135.175
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.175
local terms energy: -80.579322
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -212.857979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.857979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.857979 (E_RNA)
where:
Base-Base interactions energy: -131.439
where: short stacking energy: -68.274
Base-Backbone interact. energy: 0.711
local terms energy: -82.129298
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -166.853133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.853133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.853133 (E_RNA)
where:
Base-Base interactions energy: -98.912
where: short stacking energy: -33.739
Base-Backbone interact. energy: -0.531
local terms energy: -67.410023
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -104.498874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.498874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.498874 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -43.146
Base-Backbone interact. energy: -0.111
local terms energy: -61.241537
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -143.591352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.591352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.591352 (E_RNA)
where:
Base-Base interactions energy: -89.037
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.165
local terms energy: -54.388875
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -12.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -92.132209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.132209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.132209 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -32.599
Base-Backbone interact. energy: -0.329
local terms energy: -49.916371
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -83.383702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.383702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.383702 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -26.441
Base-Backbone interact. energy: -0.313
local terms energy: -46.344781
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: 2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -87.766145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766145 (E_RNA)
where:
Base-Base interactions energy: -26.118
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.625
local terms energy: -61.023266
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -87.358638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.358638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.358638 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -25.806
Base-Backbone interact. energy: 0.620
local terms energy: -54.255536
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -224.923504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.923504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.923504 (E_RNA)
where:
Base-Base interactions energy: -148.863
where: short stacking energy: -67.843
Base-Backbone interact. energy: -0.064
local terms energy: -75.996314
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -220.891205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.891205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891205 (E_RNA)
where:
Base-Base interactions energy: -142.956
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.001
local terms energy: -77.933658
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -214.987776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.987776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.987776 (E_RNA)
where:
Base-Base interactions energy: -138.394
where: short stacking energy: -54.389
Base-Backbone interact. energy: -0.537
local terms energy: -76.056177
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -170.559381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.559381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.559381 (E_RNA)
where:
Base-Base interactions energy: -105.039
where: short stacking energy: -59.293
Base-Backbone interact. energy: 0.208
local terms energy: -65.729208
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -97.628303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.628303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.628303 (E_RNA)
where:
Base-Base interactions energy: -41.915
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.052
local terms energy: -55.661123
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -150.900041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.900041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.900041 (E_RNA)
where:
Base-Base interactions energy: -92.178
where: short stacking energy: -47.920
Base-Backbone interact. energy: -0.201
local terms energy: -58.521759
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -110.655301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.655301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.655301 (E_RNA)
where:
Base-Base interactions energy: -44.401
where: short stacking energy: -44.401
Base-Backbone interact. energy: -0.126
local terms energy: -66.128018
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -90.016610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.016610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.016610 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -34.714
Base-Backbone interact. energy: -0.057
local terms energy: -55.246590
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -85.160240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160240 (E_RNA)
where:
Base-Base interactions energy: -35.849
where: short stacking energy: -32.233
Base-Backbone interact. energy: -0.168
local terms energy: -49.143237
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -1.041
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -75.147714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.147714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.147714 (E_RNA)
where:
Base-Base interactions energy: -24.250
where: short stacking energy: -24.250
Base-Backbone interact. energy: 0.021
local terms energy: -50.919132
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: 2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -218.417580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417580 (E_RNA)
where:
Base-Base interactions energy: -140.677
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.001
local terms energy: -77.739242
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -222.908134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.908134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.908134 (E_RNA)
where:
Base-Base interactions energy: -145.894
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.096
local terms energy: -76.918161
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -212.160138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.160138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.160138 (E_RNA)
where:
Base-Base interactions energy: -135.815
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.038
local terms energy: -76.307249
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -161.559519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.559519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.559519 (E_RNA)
where:
Base-Base interactions energy: -95.500
where: short stacking energy: -48.973
Base-Backbone interact. energy: -0.214
local terms energy: -65.844805
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -157.714158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.714158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.714158 (E_RNA)
where:
Base-Base interactions energy: -90.324
where: short stacking energy: -44.800
Base-Backbone interact. energy: -0.904
local terms energy: -66.485700
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -101.794087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.794087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.794087 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.129
local terms energy: -62.241445
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -98.554580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.554580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.554580 (E_RNA)
where:
Base-Base interactions energy: -44.840
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.155
local terms energy: -53.559620
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -88.049421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.049421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.049421 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.249
local terms energy: -49.201418
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -82.294345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.294345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.294345 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.046
local terms energy: -50.618604
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -79.731295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.731295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.731295 (E_RNA)
where:
Base-Base interactions energy: -31.230
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.017
local terms energy: -48.484247
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -212.275033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275033 (E_RNA)
where:
Base-Base interactions energy: -126.552
where: short stacking energy: -59.147
Base-Backbone interact. energy: -0.415
local terms energy: -85.307902
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -210.255249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.255249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.255249 (E_RNA)
where:
Base-Base interactions energy: -136.614
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.713
local terms energy: -72.927453
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -214.818971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.818971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.818971 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.031
local terms energy: -68.629284
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -200.372211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.372211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.372211 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.094
local terms energy: -75.171523
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -157.514362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.514362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.514362 (E_RNA)
where:
Base-Base interactions energy: -92.889
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.016
local terms energy: -64.609326
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -103.732675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.732675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.732675 (E_RNA)
where:
Base-Base interactions energy: -47.727
where: short stacking energy: -38.907
Base-Backbone interact. energy: -1.215
local terms energy: -54.789849
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -85.877789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.877789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.877789 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.085
local terms energy: -48.939607
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -104.556324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.556324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.556324 (E_RNA)
where:
Base-Base interactions energy: -51.545
where: short stacking energy: -49.349
Base-Backbone interact. energy: 0.176
local terms energy: -53.186990
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -74.449186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.449186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.449186 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -25.885
Base-Backbone interact. energy: -1.134
local terms energy: -45.557059
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -79.824712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.824712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.824712 (E_RNA)
where:
Base-Base interactions energy: -27.613
where: short stacking energy: -14.952
Base-Backbone interact. energy: 3.950
local terms energy: -56.161586
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -220.145114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.145114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.145114 (E_RNA)
where:
Base-Base interactions energy: -135.678
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.015
local terms energy: -84.452778
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -216.609644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.609644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.609644 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.016
local terms energy: -79.046915
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -204.980737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.980737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.980737 (E_RNA)
where:
Base-Base interactions energy: -125.752
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.108
local terms energy: -79.120058
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -216.794442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.794442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.794442 (E_RNA)
where:
Base-Base interactions energy: -141.067
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.092
local terms energy: -75.635015
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -149.885146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.885146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.885146 (E_RNA)
where:
Base-Base interactions energy: -82.443
where: short stacking energy: -47.773
Base-Backbone interact. energy: 0.210
local terms energy: -67.651983
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -95.875691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.875691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.875691 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.110
local terms energy: -56.044676
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -90.444754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444754 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -38.535
Base-Backbone interact. energy: -0.550
local terms energy: -51.359983
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -94.766626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.766626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.766626 (E_RNA)
where:
Base-Base interactions energy: -39.599
where: short stacking energy: -35.035
Base-Backbone interact. energy: -0.100
local terms energy: -55.067907
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -89.905220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.905220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.905220 (E_RNA)
where:
Base-Base interactions energy: -40.424
where: short stacking energy: -35.767
Base-Backbone interact. energy: -0.032
local terms energy: -49.449285
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -81.081903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.081903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.081903 (E_RNA)
where:
Base-Base interactions energy: -35.674
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.100
local terms energy: -45.308245
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -221.683185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.683185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.683185 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.257
local terms energy: -86.573505
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -214.711720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.711720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.711720 (E_RNA)
where:
Base-Base interactions energy: -129.587
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.311
local terms energy: -84.813598
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -175.286542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.286542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.286542 (E_RNA)
where:
Base-Base interactions energy: -104.597
where: short stacking energy: -51.336
Base-Backbone interact. energy: -0.053
local terms energy: -70.636508
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -218.509536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.509536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.509536 (E_RNA)
where:
Base-Base interactions energy: -140.212
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.159
local terms energy: -78.138466
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -156.315159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.315159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.315159 (E_RNA)
where:
Base-Base interactions energy: -90.158
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.172
local terms energy: -65.985368
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -95.431467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.431467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.431467 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -34.277
Base-Backbone interact. energy: 1.142
local terms energy: -58.792214
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -107.475692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.475692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.475692 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -35.957
Base-Backbone interact. energy: 1.587
local terms energy: -67.447796
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -89.601799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.601799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.601799 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -36.920
Base-Backbone interact. energy: -0.204
local terms energy: -52.477585
where:
bonds (distance) C4'-P energy: -3.105
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -72.354264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.354264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.354264 (E_RNA)
where:
Base-Base interactions energy: -23.264
where: short stacking energy: -20.203
Base-Backbone interact. energy: -0.468
local terms energy: -48.622346
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -83.092644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.092644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.092644 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -25.659
Base-Backbone interact. energy: -0.019
local terms energy: -53.426522
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -224.011131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.011131 (E_RNA)
where:
Base-Base interactions energy: -146.421
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.046
local terms energy: -77.544258
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -223.033992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.033992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.033992 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.081
local terms energy: -80.205510
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -213.306503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.306503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.306503 (E_RNA)
where:
Base-Base interactions energy: -139.037
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.015
local terms energy: -74.254510
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -167.679206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.679206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.679206 (E_RNA)
where:
Base-Base interactions energy: -106.714
where: short stacking energy: -52.926
Base-Backbone interact. energy: -0.132
local terms energy: -60.834020
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -163.541947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.541947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.541947 (E_RNA)
where:
Base-Base interactions energy: -97.880
where: short stacking energy: -52.612
Base-Backbone interact. energy: -1.918
local terms energy: -63.744063
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -105.597635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.597635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.597635 (E_RNA)
where:
Base-Base interactions energy: -47.022
where: short stacking energy: -17.853
Base-Backbone interact. energy: -0.254
local terms energy: -58.321676
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -97.277838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.277838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.277838 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -33.665
Base-Backbone interact. energy: -0.049
local terms energy: -61.359272
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -87.528809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528809 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -32.269
Base-Backbone interact. energy: -0.028
local terms energy: -53.281705
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -96.134989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.134989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.134989 (E_RNA)
where:
Base-Base interactions energy: -45.299
where: short stacking energy: -36.085
Base-Backbone interact. energy: -0.353
local terms energy: -50.482888
where:
bonds (distance) C4'-P energy: -5.602
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -68.560669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.560669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.560669 (E_RNA)
where:
Base-Base interactions energy: -21.255
where: short stacking energy: -21.255
Base-Backbone interact. energy: -0.241
local terms energy: -47.065019
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -213.397408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.397408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.397408 (E_RNA)
where:
Base-Base interactions energy: -135.716
where: short stacking energy: -64.986
Base-Backbone interact. energy: -0.543
local terms energy: -77.138101
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -216.289763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.289763 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -70.500
Base-Backbone interact. energy: -0.015
local terms energy: -76.794155
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -203.944029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.944029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.944029 (E_RNA)
where:
Base-Base interactions energy: -126.205
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.181
local terms energy: -77.557101
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -157.226232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.226232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.226232 (E_RNA)
where:
Base-Base interactions energy: -88.588
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.208
local terms energy: -68.430699
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -164.848816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.848816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.848816 (E_RNA)
where:
Base-Base interactions energy: -96.993
where: short stacking energy: -49.623
Base-Backbone interact. energy: -0.344
local terms energy: -67.510967
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -98.187693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.187693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.187693 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -34.453
Base-Backbone interact. energy: 0.305
local terms energy: -59.271651
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -103.188957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.188957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.188957 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -28.636
Base-Backbone interact. energy: -0.419
local terms energy: -56.796249
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -102.279540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.279540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.279540 (E_RNA)
where:
Base-Base interactions energy: -43.565
where: short stacking energy: -40.001
Base-Backbone interact. energy: 1.303
local terms energy: -60.016830
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -84.583205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.583205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.583205 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -32.705
Base-Backbone interact. energy: 1.426
local terms energy: -53.304701
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -82.212690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.212690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.212690 (E_RNA)
where:
Base-Base interactions energy: -27.274
where: short stacking energy: -26.120
Base-Backbone interact. energy: -0.371
local terms energy: -54.568212
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: 0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -222.980858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.980858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.980858 (E_RNA)
where:
Base-Base interactions energy: -142.316
where: short stacking energy: -55.204
Base-Backbone interact. energy: -0.061
local terms energy: -80.603911
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -211.192971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.192971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.192971 (E_RNA)
where:
Base-Base interactions energy: -130.672
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.076
local terms energy: -80.444619
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -209.538628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.538628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.538628 (E_RNA)
where:
Base-Base interactions energy: -135.587
where: short stacking energy: -58.968
Base-Backbone interact. energy: -0.137
local terms energy: -73.814635
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -153.663820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.663820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.663820 (E_RNA)
where:
Base-Base interactions energy: -83.724
where: short stacking energy: -45.445
Base-Backbone interact. energy: 0.322
local terms energy: -70.261274
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -125.318698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.318698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.318698 (E_RNA)
where:
Base-Base interactions energy: -59.599
where: short stacking energy: -41.787
Base-Backbone interact. energy: 0.780
local terms energy: -66.499718
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -124.895988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.895988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.895988 (E_RNA)
where:
Base-Base interactions energy: -68.097
where: short stacking energy: -41.131
Base-Backbone interact. energy: 1.772
local terms energy: -58.570509
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -109.700068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.700068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.700068 (E_RNA)
where:
Base-Base interactions energy: -47.915
where: short stacking energy: -41.285
Base-Backbone interact. energy: -0.043
local terms energy: -61.742289
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -91.291427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291427 (E_RNA)
where:
Base-Base interactions energy: -45.286
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.453
local terms energy: -45.552150
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -78.499407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.499407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.499407 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -26.037
Base-Backbone interact. energy: -0.108
local terms energy: -46.856563
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -83.414233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.414233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.414233 (E_RNA)
where:
Base-Base interactions energy: -33.340
where: short stacking energy: -33.340
Base-Backbone interact. energy: 1.402
local terms energy: -51.475773
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -216.958601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.958601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.958601 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.321
local terms energy: -81.022516
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -219.769854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.769854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.769854 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.088
local terms energy: -82.090172
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -198.154618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.154618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.154618 (E_RNA)
where:
Base-Base interactions energy: -124.882
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.239
local terms energy: -73.033407
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -159.350306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.350306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.350306 (E_RNA)
where:
Base-Base interactions energy: -104.044
where: short stacking energy: -44.445
Base-Backbone interact. energy: -0.288
local terms energy: -55.017661
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -105.912908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.912908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.912908 (E_RNA)
where:
Base-Base interactions energy: -51.320
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.133
local terms energy: -54.460762
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -109.114870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.114870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.114870 (E_RNA)
where:
Base-Base interactions energy: -52.626
where: short stacking energy: -31.968
Base-Backbone interact. energy: -0.543
local terms energy: -55.945856
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -94.947687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.947687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.947687 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -33.599
Base-Backbone interact. energy: 0.349
local terms energy: -61.697428
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -88.294147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294147 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -28.421
Base-Backbone interact. energy: -0.327
local terms energy: -56.948867
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -136.393836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.393836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.393836 (E_RNA)
where:
Base-Base interactions energy: -83.615
where: short stacking energy: -40.173
Base-Backbone interact. energy: -0.258
local terms energy: -52.520560
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -77.357971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.357971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.357971 (E_RNA)
where:
Base-Base interactions energy: -30.891
where: short stacking energy: -25.819
Base-Backbone interact. energy: -0.867
local terms energy: -45.599681
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: 2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -220.629860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.629860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.629860 (E_RNA)
where:
Base-Base interactions energy: -135.773
where: short stacking energy: -66.615
Base-Backbone interact. energy: -0.018
local terms energy: -84.839406
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -215.936713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.936713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.936713 (E_RNA)
where:
Base-Base interactions energy: -139.085
where: short stacking energy: -78.701
Base-Backbone interact. energy: -0.001
local terms energy: -76.850965
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -207.978369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.978369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.978369 (E_RNA)
where:
Base-Base interactions energy: -134.375
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.004
local terms energy: -73.599237
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -184.780809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.780809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.780809 (E_RNA)
where:
Base-Base interactions energy: -121.284
where: short stacking energy: -54.759
Base-Backbone interact. energy: 0.302
local terms energy: -63.799072
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -119.230484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.230484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.230484 (E_RNA)
where:
Base-Base interactions energy: -57.465
where: short stacking energy: -40.693
Base-Backbone interact. energy: -0.179
local terms energy: -61.586192
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -106.348222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.348222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.348222 (E_RNA)
where:
Base-Base interactions energy: -48.899
where: short stacking energy: -23.421
Base-Backbone interact. energy: 1.008
local terms energy: -58.457677
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -109.175993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.175993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.175993 (E_RNA)
where:
Base-Base interactions energy: -53.326
where: short stacking energy: -24.105
Base-Backbone interact. energy: 0.011
local terms energy: -55.861486
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -89.193564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193564 (E_RNA)
where:
Base-Base interactions energy: -33.447
where: short stacking energy: -22.029
Base-Backbone interact. energy: -0.320
local terms energy: -55.426061
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -87.629259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.629259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.629259 (E_RNA)
where:
Base-Base interactions energy: -41.298
where: short stacking energy: -38.254
Base-Backbone interact. energy: -0.116
local terms energy: -46.215475
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -118.640484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.640484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.640484 (E_RNA)
where:
Base-Base interactions energy: -57.563
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.076
local terms energy: -61.001352
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -217.588261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.588261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.588261 (E_RNA)
where:
Base-Base interactions energy: -141.016
where: short stacking energy: -56.049
Base-Backbone interact. energy: -0.018
local terms energy: -76.554899
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -215.339919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.339919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.339919 (E_RNA)
where:
Base-Base interactions energy: -136.789
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.009
local terms energy: -78.542337
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -213.286606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.286606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.286606 (E_RNA)
where:
Base-Base interactions energy: -131.495
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.002
local terms energy: -81.789735
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -181.041666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.041666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.041666 (E_RNA)
where:
Base-Base interactions energy: -111.802
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.415
local terms energy: -68.823933
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -120.813482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.813482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.813482 (E_RNA)
where:
Base-Base interactions energy: -60.885
where: short stacking energy: -44.941
Base-Backbone interact. energy: -0.506
local terms energy: -59.421749
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -115.777627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.777627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.777627 (E_RNA)
where:
Base-Base interactions energy: -64.436
where: short stacking energy: -37.303
Base-Backbone interact. energy: -1.148
local terms energy: -50.193783
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -86.916642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.916642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.916642 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -22.433
Base-Backbone interact. energy: -0.313
local terms energy: -56.009481
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -91.868035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868035 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -36.735
Base-Backbone interact. energy: 0.575
local terms energy: -55.103156
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -86.665546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.665546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.665546 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -30.076
Base-Backbone interact. energy: 1.958
local terms energy: -46.120713
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -82.468791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.468791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.468791 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.092
local terms energy: -50.742169
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -219.929065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.929065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.929065 (E_RNA)
where:
Base-Base interactions energy: -140.871
where: short stacking energy: -68.719
Base-Backbone interact. energy: -0.003
local terms energy: -79.055444
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -214.928256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.928256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.928256 (E_RNA)
where:
Base-Base interactions energy: -147.373
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.007
local terms energy: -67.547496
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -213.427770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.427770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.427770 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.587
local terms energy: -78.265512
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -157.010767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.010767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.010767 (E_RNA)
where:
Base-Base interactions energy: -96.267
where: short stacking energy: -50.868
Base-Backbone interact. energy: -0.163
local terms energy: -60.581062
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -102.335879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.335879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.335879 (E_RNA)
where:
Base-Base interactions energy: -33.674
where: short stacking energy: -33.215
Base-Backbone interact. energy: -1.460
local terms energy: -67.202229
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -91.282786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.282786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.282786 (E_RNA)
where:
Base-Base interactions energy: -46.175
where: short stacking energy: -27.593
Base-Backbone interact. energy: -0.146
local terms energy: -44.961327
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -105.560657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.560657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.560657 (E_RNA)
where:
Base-Base interactions energy: -52.947
where: short stacking energy: -51.700
Base-Backbone interact. energy: 0.442
local terms energy: -53.055969
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -94.564119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.564119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.564119 (E_RNA)
where:
Base-Base interactions energy: -39.178
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.374
local terms energy: -55.012427
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.792407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.792407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.792407 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.012
local terms energy: -56.875474
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -71.937227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.937227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.937227 (E_RNA)
where:
Base-Base interactions energy: -21.837
where: short stacking energy: -12.723
Base-Backbone interact. energy: -0.481
local terms energy: -49.619815
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -222.046825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.046825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.046825 (E_RNA)
where:
Base-Base interactions energy: -134.561
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.086
local terms energy: -87.399369
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -217.718989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.718989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.718989 (E_RNA)
where:
Base-Base interactions energy: -135.926
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.341
local terms energy: -81.452383
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -204.076222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.076222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.076222 (E_RNA)
where:
Base-Base interactions energy: -128.037
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.070
local terms energy: -75.969037
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -163.263000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.263000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.263000 (E_RNA)
where:
Base-Base interactions energy: -94.282
where: short stacking energy: -50.804
Base-Backbone interact. energy: -0.112
local terms energy: -68.869571
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -109.237066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.237066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.237066 (E_RNA)
where:
Base-Base interactions energy: -41.582
where: short stacking energy: -41.359
Base-Backbone interact. energy: -0.045
local terms energy: -67.610555
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -102.536268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.536268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.536268 (E_RNA)
where:
Base-Base interactions energy: -42.488
where: short stacking energy: -35.749
Base-Backbone interact. energy: -1.233
local terms energy: -58.815265
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -98.816814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.816814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.816814 (E_RNA)
where:
Base-Base interactions energy: -45.528
where: short stacking energy: -41.757
Base-Backbone interact. energy: -1.047
local terms energy: -52.241602
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -98.694235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.694235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.694235 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -32.590
Base-Backbone interact. energy: 0.958
local terms energy: -45.907276
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -84.899094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.899094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.899094 (E_RNA)
where:
Base-Base interactions energy: -29.033
where: short stacking energy: -26.571
Base-Backbone interact. energy: 0.335
local terms energy: -56.200937
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -78.897054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.897054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.897054 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -17.747
Base-Backbone interact. energy: 1.514
local terms energy: -55.892213
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -223.551200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.551200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.551200 (E_RNA)
where:
Base-Base interactions energy: -147.551
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.002
local terms energy: -75.997924
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -217.639202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.639202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.639202 (E_RNA)
where:
Base-Base interactions energy: -133.349
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.037
local terms energy: -84.253728
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -166.467948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.467948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.467948 (E_RNA)
where:
Base-Base interactions energy: -101.332
where: short stacking energy: -52.953
Base-Backbone interact. energy: -0.175
local terms energy: -64.961450
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -203.217068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.217068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.217068 (E_RNA)
where:
Base-Base interactions energy: -123.644
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.517
local terms energy: -79.056492
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -105.260890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.260890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.260890 (E_RNA)
where:
Base-Base interactions energy: -43.400
where: short stacking energy: -39.463
Base-Backbone interact. energy: -0.078
local terms energy: -61.783040
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -100.616388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.616388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.616388 (E_RNA)
where:
Base-Base interactions energy: -45.482
where: short stacking energy: -41.651
Base-Backbone interact. energy: -0.196
local terms energy: -54.938781
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -85.191925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191925 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -26.158
Base-Backbone interact. energy: -0.105
local terms energy: -58.487504
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -87.313799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.313799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.313799 (E_RNA)
where:
Base-Base interactions energy: -28.106
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.198
local terms energy: -59.009320
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -88.056998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.056998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.056998 (E_RNA)
where:
Base-Base interactions energy: -31.408
where: short stacking energy: -25.355
Base-Backbone interact. energy: -0.022
local terms energy: -56.627889
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -76.822728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.822728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.822728 (E_RNA)
where:
Base-Base interactions energy: -29.784
where: short stacking energy: -19.607
Base-Backbone interact. energy: -0.287
local terms energy: -46.751143
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: 1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -222.046660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.046660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.046660 (E_RNA)
where:
Base-Base interactions energy: -143.049
where: short stacking energy: -66.688
Base-Backbone interact. energy: 1.266
local terms energy: -80.263906
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -196.906413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.906413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.906413 (E_RNA)
where:
Base-Base interactions energy: -121.128
where: short stacking energy: -66.161
Base-Backbone interact. energy: -0.708
local terms energy: -75.070692
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -218.403526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.403526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.403526 (E_RNA)
where:
Base-Base interactions energy: -135.630
where: short stacking energy: -70.178
Base-Backbone interact. energy: -0.001
local terms energy: -82.772473
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -201.749434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.749434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.749434 (E_RNA)
where:
Base-Base interactions energy: -124.761
where: short stacking energy: -67.981
Base-Backbone interact. energy: -1.121
local terms energy: -75.867733
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -112.746511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.746511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.746511 (E_RNA)
where:
Base-Base interactions energy: -59.009
where: short stacking energy: -48.431
Base-Backbone interact. energy: -1.023
local terms energy: -52.714675
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -95.356257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.356257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.356257 (E_RNA)
where:
Base-Base interactions energy: -44.073
where: short stacking energy: -37.431
Base-Backbone interact. energy: 0.912
local terms energy: -52.195281
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -94.789493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789493 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -37.369
Base-Backbone interact. energy: 0.927
local terms energy: -54.758168
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -81.781663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.781663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.781663 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -34.448
Base-Backbone interact. energy: 0.490
local terms energy: -47.823031
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -8.750
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: 1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -81.330353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.330353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.330353 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.058
local terms energy: -49.271397
where:
bonds (distance) C4'-P energy: -8.089
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -97.652681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.652681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.652681 (E_RNA)
where:
Base-Base interactions energy: -39.647
where: short stacking energy: -35.628
Base-Backbone interact. energy: -0.095
local terms energy: -57.911600
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -214.342912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.342912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.342912 (E_RNA)
where:
Base-Base interactions energy: -135.762
where: short stacking energy: -66.107
Base-Backbone interact. energy: -0.250
local terms energy: -78.331748
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -181.788689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.788689 (E_RNA)
where:
Base-Base interactions energy: -109.049
where: short stacking energy: -41.383
Base-Backbone interact. energy: -0.789
local terms energy: -71.950811
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -214.248021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248021 (E_RNA)
where:
Base-Base interactions energy: -131.754
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.147
local terms energy: -82.346393
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -208.799014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.799014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.799014 (E_RNA)
where:
Base-Base interactions energy: -132.364
where: short stacking energy: -55.520
Base-Backbone interact. energy: -0.070
local terms energy: -76.365154
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -114.157788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.157788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.157788 (E_RNA)
where:
Base-Base interactions energy: -54.367
where: short stacking energy: -49.460
Base-Backbone interact. energy: -0.074
local terms energy: -59.717198
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -101.115918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.115918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.115918 (E_RNA)
where:
Base-Base interactions energy: -46.085
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.113
local terms energy: -54.918145
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -109.926915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.926915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.926915 (E_RNA)
where:
Base-Base interactions energy: -56.843
where: short stacking energy: -41.154
Base-Backbone interact. energy: -0.322
local terms energy: -52.762855
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -92.383434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383434 (E_RNA)
where:
Base-Base interactions energy: -37.580
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.090
local terms energy: -54.713547
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -76.366302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.366302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.366302 (E_RNA)
where:
Base-Base interactions energy: -20.385
where: short stacking energy: -20.071
Base-Backbone interact. energy: -0.227
local terms energy: -55.754035
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -77.782635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.782635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.782635 (E_RNA)
where:
Base-Base interactions energy: -26.179
where: short stacking energy: -26.179
Base-Backbone interact. energy: -0.213
local terms energy: -51.390557
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -218.647505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647505 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -65.494
Base-Backbone interact. energy: -0.647
local terms energy: -72.161632
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -214.776516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.776516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.776516 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.045
local terms energy: -75.530066
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -192.234095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.234095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.234095 (E_RNA)
where:
Base-Base interactions energy: -119.688
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.852
local terms energy: -71.694536
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -203.587588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.587588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587588 (E_RNA)
where:
Base-Base interactions energy: -132.192
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.556
local terms energy: -70.839626
where:
bonds (distance) C4'-P energy: -7.175
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -111.283237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.283237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.283237 (E_RNA)
where:
Base-Base interactions energy: -45.616
where: short stacking energy: -44.447
Base-Backbone interact. energy: -0.031
local terms energy: -65.636909
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -98.297627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.297627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.297627 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -35.600
Base-Backbone interact. energy: 0.418
local terms energy: -54.653221
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -95.195288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.195288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.195288 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -36.623
Base-Backbone interact. energy: -0.349
local terms energy: -56.419060
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -84.805728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805728 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -34.097
Base-Backbone interact. energy: -0.099
local terms energy: -50.193028
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -84.387621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.387621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.387621 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -28.801
Base-Backbone interact. energy: 0.179
local terms energy: -43.654346
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -78.121896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.121896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.121896 (E_RNA)
where:
Base-Base interactions energy: -26.627
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.001
local terms energy: -51.494034
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -225.295550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.295550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.295550 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.050
local terms energy: -88.751855
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -208.182885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.182885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.182885 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -59.674
Base-Backbone interact. energy: 0.629
local terms energy: -73.864610
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -213.784763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.784763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.784763 (E_RNA)
where:
Base-Base interactions energy: -132.637
where: short stacking energy: -61.872
Base-Backbone interact. energy: -0.096
local terms energy: -81.052010
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -195.924699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.924699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.924699 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -62.428
Base-Backbone interact. energy: -0.841
local terms energy: -71.720299
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -103.590772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.590772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.590772 (E_RNA)
where:
Base-Base interactions energy: -44.730
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.001
local terms energy: -58.860447
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -100.534975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.534975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.534975 (E_RNA)
where:
Base-Base interactions energy: -43.895
where: short stacking energy: -39.490
Base-Backbone interact. energy: -2.274
local terms energy: -54.366049
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -93.813438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813438 (E_RNA)
where:
Base-Base interactions energy: -39.330
where: short stacking energy: -37.789
Base-Backbone interact. energy: -0.119
local terms energy: -54.365174
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.267318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.267318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.267318 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -27.333
Base-Backbone interact. energy: 0.372
local terms energy: -52.910348
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -85.038960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038960 (E_RNA)
where:
Base-Base interactions energy: -26.856
where: short stacking energy: -23.985
Base-Backbone interact. energy: -0.863
local terms energy: -57.320030
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -88.858426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.858426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.858426 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -32.911
Base-Backbone interact. energy: 0.808
local terms energy: -55.278188
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -220.741298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.741298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.741298 (E_RNA)
where:
Base-Base interactions energy: -136.848
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.459
local terms energy: -83.434199
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -217.935504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.935504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.935504 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.009
local terms energy: -76.959720
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -209.837688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.837688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.837688 (E_RNA)
where:
Base-Base interactions energy: -137.940
where: short stacking energy: -65.310
Base-Backbone interact. energy: 0.002
local terms energy: -71.898849
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -165.348241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.348241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.348241 (E_RNA)
where:
Base-Base interactions energy: -96.640
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.762
local terms energy: -67.945616
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -108.565651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.565651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.565651 (E_RNA)
where:
Base-Base interactions energy: -46.762
where: short stacking energy: -45.859
Base-Backbone interact. energy: -0.126
local terms energy: -61.678436
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -104.186418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.186418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.186418 (E_RNA)
where:
Base-Base interactions energy: -41.732
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.387
local terms energy: -62.067159
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -96.811102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.811102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.811102 (E_RNA)
where:
Base-Base interactions energy: -44.467
where: short stacking energy: -43.034
Base-Backbone interact. energy: -1.120
local terms energy: -51.224681
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -93.786921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.786921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.786921 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -22.626
Base-Backbone interact. energy: -0.160
local terms energy: -53.483879
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -88.056152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.056152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.056152 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.135
local terms energy: -55.855449
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -79.926937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926937 (E_RNA)
where:
Base-Base interactions energy: -32.820
where: short stacking energy: -24.054
Base-Backbone interact. energy: -1.461
local terms energy: -45.646544
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -221.003852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.003852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.003852 (E_RNA)
where:
Base-Base interactions energy: -140.518
where: short stacking energy: -61.235
Base-Backbone interact. energy: -1.240
local terms energy: -79.245560
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -210.490859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490859 (E_RNA)
where:
Base-Base interactions energy: -130.395
where: short stacking energy: -60.898
Base-Backbone interact. energy: -0.312
local terms energy: -79.783649
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -202.981564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.981564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981564 (E_RNA)
where:
Base-Base interactions energy: -122.088
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.007
local terms energy: -80.886214
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -171.101105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.101105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.101105 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.020
local terms energy: -67.086114
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -105.213523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.213523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.213523 (E_RNA)
where:
Base-Base interactions energy: -46.157
where: short stacking energy: -37.561
Base-Backbone interact. energy: 0.602
local terms energy: -59.659015
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -98.964384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.964384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.964384 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.029
local terms energy: -54.514384
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -93.583779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583779 (E_RNA)
where:
Base-Base interactions energy: -52.305
where: short stacking energy: -26.641
Base-Backbone interact. energy: -0.354
local terms energy: -40.925139
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -106.777195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.777195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.777195 (E_RNA)
where:
Base-Base interactions energy: -56.899
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.117
local terms energy: -49.761054
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -7.192
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -88.925045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.925045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.925045 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -32.700
Base-Backbone interact. energy: -0.124
local terms energy: -55.080035
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -89.206112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.206112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.206112 (E_RNA)
where:
Base-Base interactions energy: -30.579
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.625
local terms energy: -58.002003
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -221.804171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.804171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.804171 (E_RNA)
where:
Base-Base interactions energy: -140.611
where: short stacking energy: -59.640
Base-Backbone interact. energy: -1.030
local terms energy: -80.163320
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -217.170515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.170515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.170515 (E_RNA)
where:
Base-Base interactions energy: -137.144
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.019
local terms energy: -80.006607
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -209.611586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.611586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.611586 (E_RNA)
where:
Base-Base interactions energy: -133.925
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.104
local terms energy: -75.582206
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -164.043986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.043986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.043986 (E_RNA)
where:
Base-Base interactions energy: -86.593
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.433
local terms energy: -77.017991
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -105.005533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.005533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.005533 (E_RNA)
where:
Base-Base interactions energy: -49.294
where: short stacking energy: -44.793
Base-Backbone interact. energy: -0.301
local terms energy: -55.410219
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -124.007820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.007820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.007820 (E_RNA)
where:
Base-Base interactions energy: -79.766
where: short stacking energy: -39.454
Base-Backbone interact. energy: 2.770
local terms energy: -47.012441
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -97.474196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.474196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.474196 (E_RNA)
where:
Base-Base interactions energy: -48.713
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.170
local terms energy: -48.590681
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -88.740067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.740067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.740067 (E_RNA)
where:
Base-Base interactions energy: -41.550
where: short stacking energy: -38.203
Base-Backbone interact. energy: -0.816
local terms energy: -46.373973
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -83.656403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.656403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.656403 (E_RNA)
where:
Base-Base interactions energy: -25.761
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.147
local terms energy: -57.748874
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -71.701523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.701523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.701523 (E_RNA)
where:
Base-Base interactions energy: -20.404
where: short stacking energy: -19.665
Base-Backbone interact. energy: -0.122
local terms energy: -51.175887
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -221.658043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.658043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.658043 (E_RNA)
where:
Base-Base interactions energy: -137.981
where: short stacking energy: -73.191
Base-Backbone interact. energy: -0.127
local terms energy: -83.550390
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -212.319354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.319354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.319354 (E_RNA)
where:
Base-Base interactions energy: -131.374
where: short stacking energy: -67.683
Base-Backbone interact. energy: -1.457
local terms energy: -79.488517
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -212.650235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.650235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.650235 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.187
local terms energy: -78.289532
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -162.608227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.608227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.608227 (E_RNA)
where:
Base-Base interactions energy: -102.742
where: short stacking energy: -47.530
Base-Backbone interact. energy: -0.597
local terms energy: -59.268724
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -131.502426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.502426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.502426 (E_RNA)
where:
Base-Base interactions energy: -76.730
where: short stacking energy: -36.290
Base-Backbone interact. energy: -0.037
local terms energy: -54.735363
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -98.022158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022158 (E_RNA)
where:
Base-Base interactions energy: -49.679
where: short stacking energy: -48.406
Base-Backbone interact. energy: -0.057
local terms energy: -48.285499
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -102.648643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.648643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.648643 (E_RNA)
where:
Base-Base interactions energy: -45.084
where: short stacking energy: -38.346
Base-Backbone interact. energy: -1.199
local terms energy: -56.365638
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -93.915917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.915917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.915917 (E_RNA)
where:
Base-Base interactions energy: -48.588
where: short stacking energy: -43.834
Base-Backbone interact. energy: -0.043
local terms energy: -45.285080
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -80.504132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.504132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.504132 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.153
local terms energy: -47.867939
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -81.992514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.992514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.992514 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -32.327
Base-Backbone interact. energy: -0.065
local terms energy: -49.600448
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -216.052891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.052891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.052891 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.768
local terms energy: -79.007391
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -213.394942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.394942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.394942 (E_RNA)
where:
Base-Base interactions energy: -137.712
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.391
local terms energy: -75.292092
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -203.474501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.474501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.474501 (E_RNA)
where:
Base-Base interactions energy: -129.741
where: short stacking energy: -56.582
Base-Backbone interact. energy: -1.505
local terms energy: -72.228754
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -167.117354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.117354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.117354 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -50.053
Base-Backbone interact. energy: -1.777
local terms energy: -69.618773
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -128.347884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.347884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.347884 (E_RNA)
where:
Base-Base interactions energy: -70.923
where: short stacking energy: -47.272
Base-Backbone interact. energy: -0.551
local terms energy: -56.873694
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -102.307689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.307689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.307689 (E_RNA)
where:
Base-Base interactions energy: -44.595
where: short stacking energy: -36.921
Base-Backbone interact. energy: -0.498
local terms energy: -57.215463
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -97.097414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.097414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.097414 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.095
local terms energy: -50.180735
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -79.392056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.392056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.392056 (E_RNA)
where:
Base-Base interactions energy: -34.228
where: short stacking energy: -27.610
Base-Backbone interact. energy: -0.848
local terms energy: -44.315573
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -90.986970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.986970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.986970 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.184
local terms energy: -58.214400
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -72.589076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.589076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.589076 (E_RNA)
where:
Base-Base interactions energy: -23.905
where: short stacking energy: -23.905
Base-Backbone interact. energy: 0.205
local terms energy: -48.888864
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -225.559362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.559362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.559362 (E_RNA)
where:
Base-Base interactions energy: -141.741
where: short stacking energy: -66.676
Base-Backbone interact. energy: 0.042
local terms energy: -83.860390
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -220.112375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112375 (E_RNA)
where:
Base-Base interactions energy: -131.219
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.733
local terms energy: -88.160772
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -213.257139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.257139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.257139 (E_RNA)
where:
Base-Base interactions energy: -129.207
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.626
local terms energy: -83.424119
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -183.439924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.439924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.439924 (E_RNA)
where:
Base-Base interactions energy: -103.967
where: short stacking energy: -66.688
Base-Backbone interact. energy: -1.295
local terms energy: -78.177565
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -102.904388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.904388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.904388 (E_RNA)
where:
Base-Base interactions energy: -49.690
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.257
local terms energy: -52.957105
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -127.314577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.314577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.314577 (E_RNA)
where:
Base-Base interactions energy: -66.675
where: short stacking energy: -38.151
Base-Backbone interact. energy: -0.050
local terms energy: -60.589748
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -104.499347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.499347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.499347 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -34.453
Base-Backbone interact. energy: 0.221
local terms energy: -59.173627
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -103.152687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.152687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.152687 (E_RNA)
where:
Base-Base interactions energy: -37.950
where: short stacking energy: -37.152
Base-Backbone interact. energy: 0.043
local terms energy: -65.245820
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -87.807542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.807542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.807542 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -33.300
Base-Backbone interact. energy: -0.251
local terms energy: -53.013809
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -71.302119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.302119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.302119 (E_RNA)
where:
Base-Base interactions energy: -28.424
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.612
local terms energy: -42.265786
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -216.178313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.178313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.178313 (E_RNA)
where:
Base-Base interactions energy: -136.915
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.002
local terms energy: -79.261311
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -216.371296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.371296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.371296 (E_RNA)
where:
Base-Base interactions energy: -131.794
where: short stacking energy: -58.191
Base-Backbone interact. energy: -1.045
local terms energy: -83.531971
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -215.789943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.789943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.789943 (E_RNA)
where:
Base-Base interactions energy: -136.016
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.009
local terms energy: -79.764849
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -172.779503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.779503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.779503 (E_RNA)
where:
Base-Base interactions energy: -99.700
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.015
local terms energy: -73.064481
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -114.098120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.098120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.098120 (E_RNA)
where:
Base-Base interactions energy: -60.215
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.099
local terms energy: -53.783645
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -101.908489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.908489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.908489 (E_RNA)
where:
Base-Base interactions energy: -41.739
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.077
local terms energy: -60.092616
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -117.887896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.887896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.887896 (E_RNA)
where:
Base-Base interactions energy: -65.031
where: short stacking energy: -33.789
Base-Backbone interact. energy: -0.494
local terms energy: -52.363067
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -98.281139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.281139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.281139 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -42.126
Base-Backbone interact. energy: 0.666
local terms energy: -53.713969
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -75.522969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.522969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.522969 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -22.430
Base-Backbone interact. energy: 0.991
local terms energy: -44.387973
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: 2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -75.204172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.204172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.204172 (E_RNA)
where:
Base-Base interactions energy: -23.939
where: short stacking energy: -19.527
Base-Backbone interact. energy: -0.625
local terms energy: -50.639970
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -214.698743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.698743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.698743 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.022
local terms energy: -75.007920
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -217.001450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.001450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.001450 (E_RNA)
where:
Base-Base interactions energy: -136.462
where: short stacking energy: -67.695
Base-Backbone interact. energy: -0.008
local terms energy: -80.532019
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -204.174165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.174165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.174165 (E_RNA)
where:
Base-Base interactions energy: -123.468
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.095
local terms energy: -80.610787
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -179.927518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.927518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.927518 (E_RNA)
where:
Base-Base interactions energy: -113.533
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.649
local terms energy: -65.746125
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -108.549367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.549367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.549367 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -44.951
Base-Backbone interact. energy: -0.106
local terms energy: -63.492739
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -97.814179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.814179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.814179 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -35.402
Base-Backbone interact. energy: -0.061
local terms energy: -61.571190
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -105.817760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.817760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.817760 (E_RNA)
where:
Base-Base interactions energy: -52.125
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.125
local terms energy: -53.567791
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -96.475160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.475160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.475160 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -36.863
Base-Backbone interact. energy: -0.084
local terms energy: -58.432851
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -88.768957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768957 (E_RNA)
where:
Base-Base interactions energy: -39.996
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.109
local terms energy: -48.663470
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -79.259579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.259579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.259579 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -23.738
Base-Backbone interact. energy: -2.046
local terms energy: -48.219690
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: 2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -228.774632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.774632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.774632 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.006
local terms energy: -85.548565
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -212.074261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.074261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.074261 (E_RNA)
where:
Base-Base interactions energy: -138.827
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.569
local terms energy: -72.678582
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -215.147849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147849 (E_RNA)
where:
Base-Base interactions energy: -141.517
where: short stacking energy: -59.046
Base-Backbone interact. energy: -0.721
local terms energy: -72.909748
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -172.989772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.989772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.989772 (E_RNA)
where:
Base-Base interactions energy: -103.417
where: short stacking energy: -51.560
Base-Backbone interact. energy: 0.043
local terms energy: -69.615983
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -101.368804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.368804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.368804 (E_RNA)
where:
Base-Base interactions energy: -36.417
where: short stacking energy: -26.473
Base-Backbone interact. energy: -0.193
local terms energy: -64.758396
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -105.280496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.280496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.280496 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -35.823
Base-Backbone interact. energy: -0.091
local terms energy: -57.390505
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -92.275771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275771 (E_RNA)
where:
Base-Base interactions energy: -45.637
where: short stacking energy: -28.478
Base-Backbone interact. energy: -0.153
local terms energy: -46.485953
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -98.593696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.593696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.593696 (E_RNA)
where:
Base-Base interactions energy: -43.489
where: short stacking energy: -42.563
Base-Backbone interact. energy: -0.055
local terms energy: -55.049454
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -90.551189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.551189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.551189 (E_RNA)
where:
Base-Base interactions energy: -33.030
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.498
local terms energy: -57.023377
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -80.207997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.207997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.207997 (E_RNA)
where:
Base-Base interactions energy: -31.606
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.146
local terms energy: -48.455647
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -224.000185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.000185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.000185 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.124
local terms energy: -83.762809
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -223.617378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.617378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.617378 (E_RNA)
where:
Base-Base interactions energy: -146.111
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.104
local terms energy: -77.402551
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -223.187690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.187690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.187690 (E_RNA)
where:
Base-Base interactions energy: -143.544
where: short stacking energy: -73.525
Base-Backbone interact. energy: -0.003
local terms energy: -79.641395
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -158.129028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.129028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.129028 (E_RNA)
where:
Base-Base interactions energy: -91.938
where: short stacking energy: -50.253
Base-Backbone interact. energy: -0.122
local terms energy: -66.069250
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -120.753743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.753743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.753743 (E_RNA)
where:
Base-Base interactions energy: -62.215
where: short stacking energy: -48.053
Base-Backbone interact. energy: -0.022
local terms energy: -58.516657
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -107.876652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.876652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.876652 (E_RNA)
where:
Base-Base interactions energy: -49.615
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.271
local terms energy: -57.990094
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -87.090378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.090378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.090378 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.110
local terms energy: -58.593475
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -89.065568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.065568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.065568 (E_RNA)
where:
Base-Base interactions energy: -39.667
where: short stacking energy: -30.996
Base-Backbone interact. energy: -0.121
local terms energy: -49.277700
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -79.148227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.148227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.148227 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.119
local terms energy: -43.862931
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: 2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -83.649251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649251 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -22.360
Base-Backbone interact. energy: -1.113
local terms energy: -54.213445
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -212.616742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.616742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.616742 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.047
local terms energy: -73.529661
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -225.031518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.031518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.031518 (E_RNA)
where:
Base-Base interactions energy: -145.301
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.242
local terms energy: -79.488515
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -220.718807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718807 (E_RNA)
where:
Base-Base interactions energy: -139.977
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.024
local terms energy: -80.718244
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -164.372006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.372006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.372006 (E_RNA)
where:
Base-Base interactions energy: -107.262
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.325
local terms energy: -56.784696
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -115.335198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.335198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.335198 (E_RNA)
where:
Base-Base interactions energy: -58.214
where: short stacking energy: -41.030
Base-Backbone interact. energy: -0.156
local terms energy: -56.965430
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -103.362426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.362426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.362426 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -41.379
Base-Backbone interact. energy: -0.008
local terms energy: -56.523159
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -111.687299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.687299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.687299 (E_RNA)
where:
Base-Base interactions energy: -49.148
where: short stacking energy: -45.290
Base-Backbone interact. energy: -0.186
local terms energy: -62.353025
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -93.004963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.004963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.004963 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -32.826
Base-Backbone interact. energy: -0.288
local terms energy: -52.996207
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -93.160626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160626 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -33.101
Base-Backbone interact. energy: -0.250
local terms energy: -58.404013
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -76.793349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.793349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.793349 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.152
local terms energy: -46.695669
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: 5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -223.836465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.836465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.836465 (E_RNA)
where:
Base-Base interactions energy: -148.016
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.078
local terms energy: -75.742751
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -215.327050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.327050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.327050 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.097
local terms energy: -76.868885
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -215.580325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580325 (E_RNA)
where:
Base-Base interactions energy: -145.588
where: short stacking energy: -60.269
Base-Backbone interact. energy: -0.777
local terms energy: -69.215006
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -155.700926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.700926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.700926 (E_RNA)
where:
Base-Base interactions energy: -83.383
where: short stacking energy: -39.412
Base-Backbone interact. energy: -0.146
local terms energy: -72.172655
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -134.616711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.616711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.616711 (E_RNA)
where:
Base-Base interactions energy: -69.863
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.258
local terms energy: -64.495421
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -99.563320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.563320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.563320 (E_RNA)
where:
Base-Base interactions energy: -40.241
where: short stacking energy: -38.813
Base-Backbone interact. energy: 0.245
local terms energy: -59.567375
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -104.019111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.019111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.019111 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -36.797
Base-Backbone interact. energy: -0.047
local terms energy: -67.175541
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -81.325040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.325040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.325040 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -22.388
Base-Backbone interact. energy: -0.068
local terms energy: -51.245764
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -82.201163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.201163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.201163 (E_RNA)
where:
Base-Base interactions energy: -32.271
where: short stacking energy: -32.271
Base-Backbone interact. energy: -0.134
local terms energy: -49.796129
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.695621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695621 (E_RNA)
where:
Base-Base interactions energy: -32.625
where: short stacking energy: -28.986
Base-Backbone interact. energy: -0.338
local terms energy: -48.732630
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: 4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -224.630812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630812 (E_RNA)
where:
Base-Base interactions energy: -149.095
where: short stacking energy: -64.386
Base-Backbone interact. energy: 0.540
local terms energy: -76.075684
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -223.570040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.570040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570040 (E_RNA)
where:
Base-Base interactions energy: -142.980
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.592
local terms energy: -79.998057
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -207.465800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.465800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.465800 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.029
local terms energy: -75.089946
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -169.051282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.051282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.051282 (E_RNA)
where:
Base-Base interactions energy: -100.210
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.033
local terms energy: -68.808297
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -142.971749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.971749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.971749 (E_RNA)
where:
Base-Base interactions energy: -82.949
where: short stacking energy: -43.643
Base-Backbone interact. energy: -0.155
local terms energy: -59.868342
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -110.896539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.896539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.896539 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -41.196
Base-Backbone interact. energy: -0.014
local terms energy: -66.687917
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -90.789522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.789522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.789522 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.092
local terms energy: -54.802654
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -94.632451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.632451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.632451 (E_RNA)
where:
Base-Base interactions energy: -42.799
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.019
local terms energy: -51.815243
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -104.177181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.177181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.177181 (E_RNA)
where:
Base-Base interactions energy: -46.406
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.814
local terms energy: -56.957401
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -75.192757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.192757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.192757 (E_RNA)
where:
Base-Base interactions energy: -16.475
where: short stacking energy: -16.475
Base-Backbone interact. energy: -0.004
local terms energy: -58.713377
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -228.906096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.906096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.906096 (E_RNA)
where:
Base-Base interactions energy: -150.359
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.000
local terms energy: -78.546331
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -218.677060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677060 (E_RNA)
where:
Base-Base interactions energy: -135.003
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.004
local terms energy: -83.670096
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -206.378815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.378815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.378815 (E_RNA)
where:
Base-Base interactions energy: -138.191
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.714
local terms energy: -67.473137
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -155.635397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.635397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.635397 (E_RNA)
where:
Base-Base interactions energy: -94.016
where: short stacking energy: -51.729
Base-Backbone interact. energy: -0.072
local terms energy: -61.547617
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -128.515570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.515570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.515570 (E_RNA)
where:
Base-Base interactions energy: -57.666
where: short stacking energy: -53.422
Base-Backbone interact. energy: -0.096
local terms energy: -70.753174
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -150.426557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.426557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.426557 (E_RNA)
where:
Base-Base interactions energy: -91.211
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.286
local terms energy: -58.929667
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -86.186891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186891 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.066
local terms energy: -50.631549
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -95.277052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.277052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.277052 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -34.597
Base-Backbone interact. energy: -0.013
local terms energy: -60.667859
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -77.903268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.903268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.903268 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.171
local terms energy: -47.651614
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -81.771014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.771014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.771014 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -33.722
Base-Backbone interact. energy: 0.882
local terms energy: -48.931725
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -7.802
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -225.300940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.300940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.300940 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -66.321
Base-Backbone interact. energy: -0.001
local terms energy: -81.873661
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -221.138433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.138433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.138433 (E_RNA)
where:
Base-Base interactions energy: -142.769
where: short stacking energy: -64.280
Base-Backbone interact. energy: 0.026
local terms energy: -78.395829
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -209.445684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445684 (E_RNA)
where:
Base-Base interactions energy: -135.151
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.066
local terms energy: -74.228227
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -164.622679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.622679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.622679 (E_RNA)
where:
Base-Base interactions energy: -96.318
where: short stacking energy: -51.875
Base-Backbone interact. energy: 1.364
local terms energy: -69.668276
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -119.282759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.282759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.282759 (E_RNA)
where:
Base-Base interactions energy: -60.574
where: short stacking energy: -44.137
Base-Backbone interact. energy: -0.535
local terms energy: -58.173881
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -131.234097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.234097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.234097 (E_RNA)
where:
Base-Base interactions energy: -70.626
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.061
local terms energy: -60.547075
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -94.930990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.930990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.930990 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.013
local terms energy: -60.744920
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -91.259511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.259511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.259511 (E_RNA)
where:
Base-Base interactions energy: -30.587
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.024
local terms energy: -60.648330
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -79.617288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.617288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.617288 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.827
local terms energy: -51.949605
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -78.452815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.452815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.452815 (E_RNA)
where:
Base-Base interactions energy: -26.373
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.200
local terms energy: -51.879588
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -221.113265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.113265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.113265 (E_RNA)
where:
Base-Base interactions energy: -155.285
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.577
local terms energy: -65.251764
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -2.504
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -222.616150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.616150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.616150 (E_RNA)
where:
Base-Base interactions energy: -148.985
where: short stacking energy: -65.999
Base-Backbone interact. energy: 0.064
local terms energy: -73.695370
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -214.477113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.477113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.477113 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -69.275
Base-Backbone interact. energy: -0.000
local terms energy: -81.951511
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -170.667866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.667866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.667866 (E_RNA)
where:
Base-Base interactions energy: -101.409
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.545
local terms energy: -68.714124
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -143.402577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.402577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.402577 (E_RNA)
where:
Base-Base interactions energy: -76.289
where: short stacking energy: -37.963
Base-Backbone interact. energy: -0.393
local terms energy: -66.720571
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -115.647723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.647723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.647723 (E_RNA)
where:
Base-Base interactions energy: -43.645
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.006
local terms energy: -71.996723
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -87.248527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248527 (E_RNA)
where:
Base-Base interactions energy: -33.512
where: short stacking energy: -33.512
Base-Backbone interact. energy: -0.057
local terms energy: -53.679879
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -90.572572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572572 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -29.942
Base-Backbone interact. energy: -0.189
local terms energy: -53.038096
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -83.770488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.770488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.770488 (E_RNA)
where:
Base-Base interactions energy: -38.296
where: short stacking energy: -25.722
Base-Backbone interact. energy: -1.438
local terms energy: -44.036332
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: 7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -83.104808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.104808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.104808 (E_RNA)
where:
Base-Base interactions energy: -24.382
where: short stacking energy: -24.245
Base-Backbone interact. energy: -0.107
local terms energy: -58.615149
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -227.236397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.236397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.236397 (E_RNA)
where:
Base-Base interactions energy: -148.132
where: short stacking energy: -69.037
Base-Backbone interact. energy: -0.102
local terms energy: -79.002667
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -221.898866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.898866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.898866 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.509
local terms energy: -83.607897
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -228.857370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.857370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.857370 (E_RNA)
where:
Base-Base interactions energy: -144.301
where: short stacking energy: -65.865
Base-Backbone interact. energy: -0.003
local terms energy: -84.553657
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -148.705083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.705083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.705083 (E_RNA)
where:
Base-Base interactions energy: -86.632
where: short stacking energy: -45.015
Base-Backbone interact. energy: -0.589
local terms energy: -61.483853
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -153.459821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.459821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.459821 (E_RNA)
where:
Base-Base interactions energy: -88.308
where: short stacking energy: -42.899
Base-Backbone interact. energy: -0.584
local terms energy: -64.567845
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -93.362147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.362147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.362147 (E_RNA)
where:
Base-Base interactions energy: -48.864
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.275
local terms energy: -44.223192
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -91.197031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197031 (E_RNA)
where:
Base-Base interactions energy: -41.553
where: short stacking energy: -41.436
Base-Backbone interact. energy: -0.366
local terms energy: -49.277996
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -93.441868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.441868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.441868 (E_RNA)
where:
Base-Base interactions energy: -35.145
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.355
local terms energy: -57.941767
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -93.518211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.518211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.518211 (E_RNA)
where:
Base-Base interactions energy: -37.220
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.004
local terms energy: -56.293882
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -69.774513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.774513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.774513 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -22.776
Base-Backbone interact. energy: -0.062
local terms energy: -45.103393
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -219.728238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.728238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.728238 (E_RNA)
where:
Base-Base interactions energy: -135.146
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.389
local terms energy: -84.193597
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -210.033538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.033538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.033538 (E_RNA)
where:
Base-Base interactions energy: -133.375
where: short stacking energy: -66.378
Base-Backbone interact. energy: -0.149
local terms energy: -76.509292
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -218.006384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.006384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.006384 (E_RNA)
where:
Base-Base interactions energy: -141.969
where: short stacking energy: -68.518
Base-Backbone interact. energy: -0.004
local terms energy: -76.034011
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -124.260131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.260131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.260131 (E_RNA)
where:
Base-Base interactions energy: -60.416
where: short stacking energy: -44.986
Base-Backbone interact. energy: -0.491
local terms energy: -63.353054
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -157.101116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.101116 (E_RNA)
where:
Base-Base interactions energy: -88.671
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.624
local terms energy: -67.806496
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -100.050116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.050116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.050116 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -42.779
Base-Backbone interact. energy: 0.279
local terms energy: -56.986023
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -93.414898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.414898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.414898 (E_RNA)
where:
Base-Base interactions energy: -36.555
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.239
local terms energy: -56.621187
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -79.669642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.669642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.669642 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -20.820
Base-Backbone interact. energy: -0.132
local terms energy: -52.630168
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -95.792458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.792458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.792458 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.169
local terms energy: -58.997720
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -87.801752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.801752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.801752 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.147
local terms energy: -48.422502
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -220.502152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.502152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.502152 (E_RNA)
where:
Base-Base interactions energy: -137.967
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.061
local terms energy: -82.474872
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -223.134737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.134737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.134737 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.580
local terms energy: -79.626125
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -208.191391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.191391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.191391 (E_RNA)
where:
Base-Base interactions energy: -128.314
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.006
local terms energy: -79.871143
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -162.329302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.329302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.329302 (E_RNA)
where:
Base-Base interactions energy: -90.334
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.256
local terms energy: -71.739275
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -119.147611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.147611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.147611 (E_RNA)
where:
Base-Base interactions energy: -61.636
where: short stacking energy: -36.448
Base-Backbone interact. energy: -2.269
local terms energy: -55.242804
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -120.530880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.530880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.530880 (E_RNA)
where:
Base-Base interactions energy: -54.041
where: short stacking energy: -54.041
Base-Backbone interact. energy: 0.283
local terms energy: -66.773201
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -85.121929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.121929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.121929 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.378
local terms energy: -58.296337
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -81.399923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.399923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.399923 (E_RNA)
where:
Base-Base interactions energy: -26.117
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.012
local terms energy: -55.270590
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -84.035838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.035838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.035838 (E_RNA)
where:
Base-Base interactions energy: -33.898
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.392
local terms energy: -49.745879
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -84.218219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.218219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.218219 (E_RNA)
where:
Base-Base interactions energy: -24.410
where: short stacking energy: -24.410
Base-Backbone interact. energy: -0.318
local terms energy: -59.489496
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -231.002512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.002512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.002512 (E_RNA)
where:
Base-Base interactions energy: -151.303
where: short stacking energy: -72.173
Base-Backbone interact. energy: -0.003
local terms energy: -79.696399
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -224.523845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.523845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.523845 (E_RNA)
where:
Base-Base interactions energy: -147.412
where: short stacking energy: -74.126
Base-Backbone interact. energy: -0.409
local terms energy: -76.702518
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -217.356633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.356633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.356633 (E_RNA)
where:
Base-Base interactions energy: -142.602
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.047
local terms energy: -74.707469
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -153.486175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.486175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.486175 (E_RNA)
where:
Base-Base interactions energy: -88.299
where: short stacking energy: -41.518
Base-Backbone interact. energy: -0.690
local terms energy: -64.497305
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -96.551176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.551176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.551176 (E_RNA)
where:
Base-Base interactions energy: -38.013
where: short stacking energy: -37.815
Base-Backbone interact. energy: 0.550
local terms energy: -59.087895
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -103.400381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.400381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.400381 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -41.898
Base-Backbone interact. energy: -0.084
local terms energy: -60.330343
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -87.595496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.595496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.595496 (E_RNA)
where:
Base-Base interactions energy: -36.054
where: short stacking energy: -36.007
Base-Backbone interact. energy: -0.318
local terms energy: -51.223924
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -88.711905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.711905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.711905 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -30.972
Base-Backbone interact. energy: -1.383
local terms energy: -49.707542
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -82.467902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.467902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.467902 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.134
local terms energy: -51.403599
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -73.592483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.592483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.592483 (E_RNA)
where:
Base-Base interactions energy: -25.781
where: short stacking energy: -14.979
Base-Backbone interact. energy: -1.070
local terms energy: -46.741381
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: 1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -224.732377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.732377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.732377 (E_RNA)
where:
Base-Base interactions energy: -144.719
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.001
local terms energy: -80.012568
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -216.798934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.798934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.798934 (E_RNA)
where:
Base-Base interactions energy: -137.031
where: short stacking energy: -62.696
Base-Backbone interact. energy: -0.006
local terms energy: -79.762078
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -204.457478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.457478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.457478 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.543
local terms energy: -75.545145
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -118.156158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.156158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.156158 (E_RNA)
where:
Base-Base interactions energy: -53.342
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.142
local terms energy: -64.672035
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -158.285929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.285929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.285929 (E_RNA)
where:
Base-Base interactions energy: -93.139
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.105
local terms energy: -65.041475
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -87.165476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.165476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.165476 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -34.600
Base-Backbone interact. energy: 0.323
local terms energy: -51.630155
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -90.579432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.579432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.579432 (E_RNA)
where:
Base-Base interactions energy: -34.677
where: short stacking energy: -29.990
Base-Backbone interact. energy: 0.626
local terms energy: -56.528709
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -2.557
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -89.862299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.862299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.862299 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -38.957
Base-Backbone interact. energy: -0.092
local terms energy: -50.813774
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -97.957472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.957472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.957472 (E_RNA)
where:
Base-Base interactions energy: -45.288
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.232
local terms energy: -52.437413
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -1.097
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.962034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.962034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.962034 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.164
local terms energy: -54.029344
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -231.203132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.203132 (E_RNA)
where:
Base-Base interactions energy: -150.336
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.004
local terms energy: -80.863701
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -222.014019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.014019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.014019 (E_RNA)
where:
Base-Base interactions energy: -147.607
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.105
local terms energy: -74.301507
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -210.798549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.798549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.798549 (E_RNA)
where:
Base-Base interactions energy: -132.161
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.596
local terms energy: -78.041742
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -110.410609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.410609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.410609 (E_RNA)
where:
Base-Base interactions energy: -49.985
where: short stacking energy: -41.597
Base-Backbone interact. energy: -0.163
local terms energy: -60.262207
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -106.028135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.028135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.028135 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -36.655
Base-Backbone interact. energy: -0.257
local terms energy: -54.378695
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -152.101695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.101695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.101695 (E_RNA)
where:
Base-Base interactions energy: -94.044
where: short stacking energy: -50.391
Base-Backbone interact. energy: -0.542
local terms energy: -57.516225
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -93.679724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.679724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.679724 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -31.753
Base-Backbone interact. energy: -0.129
local terms energy: -60.484522
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -95.465251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.465251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.465251 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -36.054
Base-Backbone interact. energy: -0.455
local terms energy: -55.911120
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -83.357863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357863 (E_RNA)
where:
Base-Base interactions energy: -32.869
where: short stacking energy: -30.043
Base-Backbone interact. energy: -0.236
local terms energy: -50.253358
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -75.218936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.218936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.218936 (E_RNA)
where:
Base-Base interactions energy: -23.262
where: short stacking energy: -22.007
Base-Backbone interact. energy: -0.379
local terms energy: -51.577840
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -232.597550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.597550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.597550 (E_RNA)
where:
Base-Base interactions energy: -151.801
where: short stacking energy: -68.391
Base-Backbone interact. energy: -0.001
local terms energy: -80.795380
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -222.694161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.694161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.694161 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.494
local terms energy: -86.797438
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -202.848999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.848999 (E_RNA)
where:
Base-Base interactions energy: -120.568
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.081
local terms energy: -82.200110
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -102.856486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.856486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.856486 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -37.483
Base-Backbone interact. energy: 0.691
local terms energy: -62.536017
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -104.303562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.303562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.303562 (E_RNA)
where:
Base-Base interactions energy: -50.222
where: short stacking energy: -46.857
Base-Backbone interact. energy: -0.084
local terms energy: -53.997474
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -106.194257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.194257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.194257 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -33.693
Base-Backbone interact. energy: -0.814
local terms energy: -53.027987
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -90.304464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.304464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.304464 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -40.472
Base-Backbone interact. energy: 2.609
local terms energy: -48.493221
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -82.574904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.574904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.574904 (E_RNA)
where:
Base-Base interactions energy: -26.337
where: short stacking energy: -22.874
Base-Backbone interact. energy: -0.744
local terms energy: -55.494240
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -88.726266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.726266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.726266 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -33.381
Base-Backbone interact. energy: -0.347
local terms energy: -51.895525
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -78.677053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.677053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.677053 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -23.526
Base-Backbone interact. energy: -0.241
local terms energy: -48.777001
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -217.545050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.545050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.545050 (E_RNA)
where:
Base-Base interactions energy: -136.410
where: short stacking energy: -64.249
Base-Backbone interact. energy: -0.753
local terms energy: -80.381273
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -202.409627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.409627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.409627 (E_RNA)
where:
Base-Base interactions energy: -124.240
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.005
local terms energy: -78.164327
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -200.240403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.240403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.240403 (E_RNA)
where:
Base-Base interactions energy: -126.312
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.653
local terms energy: -73.275305
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -125.685234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.685234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.685234 (E_RNA)
where:
Base-Base interactions energy: -56.432
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.070
local terms energy: -69.183590
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -110.314344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.314344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.314344 (E_RNA)
where:
Base-Base interactions energy: -49.516
where: short stacking energy: -48.153
Base-Backbone interact. energy: -0.035
local terms energy: -60.763678
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -115.494926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.494926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.494926 (E_RNA)
where:
Base-Base interactions energy: -59.539
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.074
local terms energy: -55.882295
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -84.059639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.059639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.059639 (E_RNA)
where:
Base-Base interactions energy: -29.667
where: short stacking energy: -26.351
Base-Backbone interact. energy: -0.281
local terms energy: -54.110955
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: 2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -90.460240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.460240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.460240 (E_RNA)
where:
Base-Base interactions energy: -28.480
where: short stacking energy: -26.018
Base-Backbone interact. energy: -0.244
local terms energy: -61.735667
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -91.532457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.532457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.532457 (E_RNA)
where:
Base-Base interactions energy: -28.908
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.724
local terms energy: -61.900498
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -10.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -82.731662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.731662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.731662 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -28.784
Base-Backbone interact. energy: -0.225
local terms energy: -49.564615
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -218.427306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.427306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.427306 (E_RNA)
where:
Base-Base interactions energy: -132.310
where: short stacking energy: -62.038
Base-Backbone interact. energy: 0.975
local terms energy: -87.092526
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -223.081654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.081654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.081654 (E_RNA)
where:
Base-Base interactions energy: -145.020
where: short stacking energy: -72.173
Base-Backbone interact. energy: -0.078
local terms energy: -77.984058
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -212.143991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.143991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.143991 (E_RNA)
where:
Base-Base interactions energy: -139.204
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.042
local terms energy: -72.898316
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -122.668240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.668240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.668240 (E_RNA)
where:
Base-Base interactions energy: -51.035
where: short stacking energy: -51.035
Base-Backbone interact. energy: -0.006
local terms energy: -71.626704
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -100.548949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.548949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.548949 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.071
local terms energy: -59.094335
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -88.629532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.629532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.629532 (E_RNA)
where:
Base-Base interactions energy: -34.705
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.764
local terms energy: -53.159782
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -89.579922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.579922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.579922 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.194
local terms energy: -55.787796
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -94.207197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.207197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.207197 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -32.850
Base-Backbone interact. energy: 0.484
local terms energy: -59.934436
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -79.408273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.408273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.408273 (E_RNA)
where:
Base-Base interactions energy: -31.081
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.100
local terms energy: -48.227652
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -84.668451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.668451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.668451 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -18.607
Base-Backbone interact. energy: -0.164
local terms energy: -53.560118
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -218.439361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.439361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.439361 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -69.019
Base-Backbone interact. energy: -0.005
local terms energy: -82.111253
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -224.593890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.593890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.593890 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.001
local terms energy: -81.365047
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -205.120589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.120589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.120589 (E_RNA)
where:
Base-Base interactions energy: -128.134
where: short stacking energy: -63.444
Base-Backbone interact. energy: 0.172
local terms energy: -77.158772
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -119.274466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.274466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.274466 (E_RNA)
where:
Base-Base interactions energy: -54.558
where: short stacking energy: -51.684
Base-Backbone interact. energy: 2.118
local terms energy: -66.833934
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -111.994699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.994699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.994699 (E_RNA)
where:
Base-Base interactions energy: -56.427
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.046
local terms energy: -55.521523
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -96.088302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.088302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.088302 (E_RNA)
where:
Base-Base interactions energy: -33.009
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.023
local terms energy: -63.055917
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -97.987176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.987176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.987176 (E_RNA)
where:
Base-Base interactions energy: -47.526
where: short stacking energy: -28.672
Base-Backbone interact. energy: 1.155
local terms energy: -51.615405
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -95.403516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.403516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.403516 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -39.033
Base-Backbone interact. energy: -0.103
local terms energy: -51.909313
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -7.885
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -71.445552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.445552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.445552 (E_RNA)
where:
Base-Base interactions energy: -19.530
where: short stacking energy: -19.530
Base-Backbone interact. energy: -0.104
local terms energy: -51.810958
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -79.671644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.671644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.671644 (E_RNA)
where:
Base-Base interactions energy: -29.519
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.406
local terms energy: -49.747352
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -219.979260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.979260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.979260 (E_RNA)
where:
Base-Base interactions energy: -142.578
where: short stacking energy: -62.975
Base-Backbone interact. energy: -0.623
local terms energy: -76.778898
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -221.582944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.582944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.582944 (E_RNA)
where:
Base-Base interactions energy: -142.214
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.000
local terms energy: -79.368843
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -216.220913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.220913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.220913 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.211
local terms energy: -75.549180
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -125.518747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.518747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.518747 (E_RNA)
where:
Base-Base interactions energy: -64.118
where: short stacking energy: -48.412
Base-Backbone interact. energy: -0.086
local terms energy: -61.315041
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -111.258871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.258871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.258871 (E_RNA)
where:
Base-Base interactions energy: -55.527
where: short stacking energy: -34.271
Base-Backbone interact. energy: -0.024
local terms energy: -55.707682
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -119.225693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.225693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.225693 (E_RNA)
where:
Base-Base interactions energy: -56.261
where: short stacking energy: -48.480
Base-Backbone interact. energy: -0.288
local terms energy: -62.677271
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -99.858444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858444 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -31.743
Base-Backbone interact. energy: -0.001
local terms energy: -68.114522
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -96.223903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.223903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.223903 (E_RNA)
where:
Base-Base interactions energy: -48.463
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.186
local terms energy: -47.574871
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -85.694551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.694551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.694551 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.382
local terms energy: -54.117152
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -88.310291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.310291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.310291 (E_RNA)
where:
Base-Base interactions energy: -32.100
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.122
local terms energy: -56.088272
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -216.915245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.915245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.915245 (E_RNA)
where:
Base-Base interactions energy: -136.910
where: short stacking energy: -67.903
Base-Backbone interact. energy: -0.456
local terms energy: -79.549014
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -231.340067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.340067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.340067 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.003
local terms energy: -85.392530
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -221.153070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.153070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.153070 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -65.647
Base-Backbone interact. energy: 0.212
local terms energy: -80.281414
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -110.148577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.148577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.148577 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -39.496
Base-Backbone interact. energy: -0.104
local terms energy: -68.270310
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -101.099122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.099122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.099122 (E_RNA)
where:
Base-Base interactions energy: -33.076
where: short stacking energy: -32.841
Base-Backbone interact. energy: -1.233
local terms energy: -66.790514
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -99.648551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.648551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.648551 (E_RNA)
where:
Base-Base interactions energy: -38.755
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.443
local terms energy: -60.450148
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -94.363189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.363189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.363189 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.266
local terms energy: -61.331889
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -93.973909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.973909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.973909 (E_RNA)
where:
Base-Base interactions energy: -37.354
where: short stacking energy: -37.354
Base-Backbone interact. energy: -0.147
local terms energy: -56.473712
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -96.616022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.616022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.616022 (E_RNA)
where:
Base-Base interactions energy: -31.824
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.042
local terms energy: -64.750309
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -83.170659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.170659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.170659 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -35.680
Base-Backbone interact. energy: 0.210
local terms energy: -47.701536
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -217.490562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.490562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.490562 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.342
local terms energy: -80.666141
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -220.332730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.332730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.332730 (E_RNA)
where:
Base-Base interactions energy: -154.161
where: short stacking energy: -68.040
Base-Backbone interact. energy: 2.482
local terms energy: -68.653550
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -217.636929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.636929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.636929 (E_RNA)
where:
Base-Base interactions energy: -145.653
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.021
local terms energy: -71.963484
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -109.520594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.520594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.520594 (E_RNA)
where:
Base-Base interactions energy: -43.649
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.216
local terms energy: -65.655816
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -100.195192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.195192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.195192 (E_RNA)
where:
Base-Base interactions energy: -40.856
where: short stacking energy: -35.515
Base-Backbone interact. energy: 0.885
local terms energy: -60.224021
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -7.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -113.610609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.610609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.610609 (E_RNA)
where:
Base-Base interactions energy: -75.737
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.269
local terms energy: -37.604852
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -5.989
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -94.361972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.361972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.361972 (E_RNA)
where:
Base-Base interactions energy: -53.124
where: short stacking energy: -39.755
Base-Backbone interact. energy: 1.174
local terms energy: -42.412639
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -89.202033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.202033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.202033 (E_RNA)
where:
Base-Base interactions energy: -35.617
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.730
local terms energy: -52.854945
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -92.839509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.839509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.839509 (E_RNA)
where:
Base-Base interactions energy: -39.658
where: short stacking energy: -25.499
Base-Backbone interact. energy: -0.064
local terms energy: -53.117155
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -92.076079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.076079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.076079 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.087
local terms energy: -54.929946
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -229.304175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.304175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.304175 (E_RNA)
where:
Base-Base interactions energy: -147.359
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.096
local terms energy: -81.848452
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -216.914563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.914563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.914563 (E_RNA)
where:
Base-Base interactions energy: -137.413
where: short stacking energy: -56.164
Base-Backbone interact. energy: -1.102
local terms energy: -78.399669
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -217.014802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014802 (E_RNA)
where:
Base-Base interactions energy: -139.502
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.599
local terms energy: -76.914024
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -109.433514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.433514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.433514 (E_RNA)
where:
Base-Base interactions energy: -44.602
where: short stacking energy: -44.421
Base-Backbone interact. energy: 1.092
local terms energy: -65.923802
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -101.520391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.520391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.520391 (E_RNA)
where:
Base-Base interactions energy: -49.922
where: short stacking energy: -29.847
Base-Backbone interact. energy: -0.125
local terms energy: -51.473557
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -94.574657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.574657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.574657 (E_RNA)
where:
Base-Base interactions energy: -29.372
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.022
local terms energy: -65.180364
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -89.717569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.717569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.717569 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.205
local terms energy: -50.029599
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -8.309
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -94.413893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.413893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.413893 (E_RNA)
where:
Base-Base interactions energy: -35.825
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.062
local terms energy: -58.527283
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -86.946227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946227 (E_RNA)
where:
Base-Base interactions energy: -29.224
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.106
local terms energy: -57.616304
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -73.858737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.858737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.858737 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -24.976
Base-Backbone interact. energy: 1.495
local terms energy: -44.383071
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -223.883831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.883831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.883831 (E_RNA)
where:
Base-Base interactions energy: -141.882
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.411
local terms energy: -81.589953
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -224.783883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.783883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.783883 (E_RNA)
where:
Base-Base interactions energy: -141.690
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.142
local terms energy: -82.952110
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -213.304118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.304118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.304118 (E_RNA)
where:
Base-Base interactions energy: -130.741
where: short stacking energy: -57.153
Base-Backbone interact. energy: -1.253
local terms energy: -81.310908
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -129.271304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.271304 (E_RNA)
where:
Base-Base interactions energy: -61.307
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.675
local terms energy: -67.288397
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -121.154838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.154838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.154838 (E_RNA)
where:
Base-Base interactions energy: -52.250
where: short stacking energy: -32.219
Base-Backbone interact. energy: -1.341
local terms energy: -67.563694
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -108.263744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.263744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.263744 (E_RNA)
where:
Base-Base interactions energy: -45.451
where: short stacking energy: -39.555
Base-Backbone interact. energy: -0.131
local terms energy: -62.682400
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -88.669430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.669430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.669430 (E_RNA)
where:
Base-Base interactions energy: -30.376
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.043
local terms energy: -58.250572
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -85.162381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162381 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -32.822
Base-Backbone interact. energy: -0.020
local terms energy: -52.018263
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -79.943161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.943161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.943161 (E_RNA)
where:
Base-Base interactions energy: -30.120
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.212
local terms energy: -49.610962
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -85.099031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.099031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.099031 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -21.100
Base-Backbone interact. energy: -0.105
local terms energy: -57.938864
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -229.166313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.166313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.166313 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.074
local terms energy: -77.006156
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -216.573233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.573233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.573233 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.010
local terms energy: -78.658682
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -216.790132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.790132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.790132 (E_RNA)
where:
Base-Base interactions energy: -139.664
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.614
local terms energy: -76.511929
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -119.333441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.333441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.333441 (E_RNA)
where:
Base-Base interactions energy: -56.123
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.037
local terms energy: -63.173104
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -114.543054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.543054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.543054 (E_RNA)
where:
Base-Base interactions energy: -48.646
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.002
local terms energy: -65.895201
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -101.820364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.820364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.820364 (E_RNA)
where:
Base-Base interactions energy: -41.304
where: short stacking energy: -41.304
Base-Backbone interact. energy: -0.073
local terms energy: -60.442496
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -107.273981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.273981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.273981 (E_RNA)
where:
Base-Base interactions energy: -53.220
where: short stacking energy: -51.559
Base-Backbone interact. energy: 1.295
local terms energy: -55.349702
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -89.172248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.172248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.172248 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -30.472
Base-Backbone interact. energy: -0.461
local terms energy: -58.238655
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -86.746061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746061 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -27.081
Base-Backbone interact. energy: -0.798
local terms energy: -52.726184
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -82.397643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397643 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -21.575
Base-Backbone interact. energy: -0.533
local terms energy: -51.796519
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -225.348123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.348123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.348123 (E_RNA)
where:
Base-Base interactions energy: -142.665
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.382
local terms energy: -82.301667
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -217.706471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.706471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.706471 (E_RNA)
where:
Base-Base interactions energy: -141.439
where: short stacking energy: -63.912
Base-Backbone interact. energy: -0.042
local terms energy: -76.225071
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -213.518503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.518503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.518503 (E_RNA)
where:
Base-Base interactions energy: -141.832
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.740
local terms energy: -70.947193
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -109.552989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.552989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.552989 (E_RNA)
where:
Base-Base interactions energy: -50.207
where: short stacking energy: -44.525
Base-Backbone interact. energy: -0.258
local terms energy: -59.088208
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -106.591732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591732 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.088
local terms energy: -60.273357
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -2.178
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -110.157816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.157816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.157816 (E_RNA)
where:
Base-Base interactions energy: -53.029
where: short stacking energy: -38.986
Base-Backbone interact. energy: -0.254
local terms energy: -56.875140
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -89.875391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.875391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.875391 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.075
local terms energy: -56.378520
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -92.953223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.953223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.953223 (E_RNA)
where:
Base-Base interactions energy: -47.525
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.372
local terms energy: -45.055882
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -75.412615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.412615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.412615 (E_RNA)
where:
Base-Base interactions energy: -38.211
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.015
local terms energy: -37.186551
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -83.643553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.643553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.643553 (E_RNA)
where:
Base-Base interactions energy: -29.169
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.284
local terms energy: -54.190575
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -226.307543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307543 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.002
local terms energy: -84.483424
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -215.354287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.354287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.354287 (E_RNA)
where:
Base-Base interactions energy: -135.768
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.386
local terms energy: -79.200911
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -216.512389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.512389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.512389 (E_RNA)
where:
Base-Base interactions energy: -140.328
where: short stacking energy: -64.245
Base-Backbone interact. energy: -0.446
local terms energy: -75.737960
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -105.421760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.421760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.421760 (E_RNA)
where:
Base-Base interactions energy: -47.289
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.074
local terms energy: -58.058816
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -112.823447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.823447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.823447 (E_RNA)
where:
Base-Base interactions energy: -48.639
where: short stacking energy: -41.838
Base-Backbone interact. energy: -0.343
local terms energy: -63.840834
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -95.864135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.864135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.864135 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -19.091
Base-Backbone interact. energy: -0.501
local terms energy: -60.542208
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -86.656846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.656846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.656846 (E_RNA)
where:
Base-Base interactions energy: -41.444
where: short stacking energy: -38.512
Base-Backbone interact. energy: -0.313
local terms energy: -44.899926
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -90.976055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.976055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.976055 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -26.334
Base-Backbone interact. energy: -0.314
local terms energy: -51.683643
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -83.118195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.118195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.118195 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.374
local terms energy: -39.007787
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -74.267462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.267462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.267462 (E_RNA)
where:
Base-Base interactions energy: -34.706
where: short stacking energy: -34.706
Base-Backbone interact. energy: 0.141
local terms energy: -39.702272
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -218.443281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.443281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.443281 (E_RNA)
where:
Base-Base interactions energy: -139.110
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.551
local terms energy: -78.782384
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -222.037029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.037029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.037029 (E_RNA)
where:
Base-Base interactions energy: -144.611
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.413
local terms energy: -77.013742
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -205.482139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.482139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.482139 (E_RNA)
where:
Base-Base interactions energy: -126.756
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.285
local terms energy: -78.441445
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -112.767600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.767600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.767600 (E_RNA)
where:
Base-Base interactions energy: -50.619
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.111
local terms energy: -62.038432
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -94.214200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.214200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.214200 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.218
local terms energy: -60.169780
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -91.140336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.140336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.140336 (E_RNA)
where:
Base-Base interactions energy: -35.873
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.031
local terms energy: -55.236340
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -90.822504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.822504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.822504 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.034
local terms energy: -55.787228
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -3.437
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -90.867811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.867811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.867811 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.241
local terms energy: -51.826198
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -81.194426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194426 (E_RNA)
where:
Base-Base interactions energy: -27.782
where: short stacking energy: -24.373
Base-Backbone interact. energy: 0.821
local terms energy: -54.233082
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -79.850518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.850518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.850518 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -31.363
Base-Backbone interact. energy: 0.488
local terms energy: -47.927499
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -221.454604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454604 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.975
local terms energy: -80.846496
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -213.147319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.147319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.147319 (E_RNA)
where:
Base-Base interactions energy: -132.572
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.075
local terms energy: -80.500562
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -208.375568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.375568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.375568 (E_RNA)
where:
Base-Base interactions energy: -136.284
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.168
local terms energy: -71.924083
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -112.576205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.576205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.576205 (E_RNA)
where:
Base-Base interactions energy: -45.601
where: short stacking energy: -39.454
Base-Backbone interact. energy: -0.007
local terms energy: -66.968640
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -99.909164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.909164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.909164 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -39.333
Base-Backbone interact. energy: -1.131
local terms energy: -55.694654
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -99.565974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.565974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.565974 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -34.131
Base-Backbone interact. energy: -0.147
local terms energy: -59.289690
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -112.468070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.468070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.468070 (E_RNA)
where:
Base-Base interactions energy: -46.179
where: short stacking energy: -46.179
Base-Backbone interact. energy: -0.053
local terms energy: -66.235710
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -90.511373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511373 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -34.236
Base-Backbone interact. energy: -0.030
local terms energy: -56.245912
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.866458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.866458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.866458 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -28.633
Base-Backbone interact. energy: -0.711
local terms energy: -48.520943
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -78.812675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812675 (E_RNA)
where:
Base-Base interactions energy: -38.254
where: short stacking energy: -28.742
Base-Backbone interact. energy: 0.903
local terms energy: -41.461898
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -222.490949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.490949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.490949 (E_RNA)
where:
Base-Base interactions energy: -140.812
where: short stacking energy: -74.687
Base-Backbone interact. energy: -0.097
local terms energy: -81.581703
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -217.359319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.359319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.359319 (E_RNA)
where:
Base-Base interactions energy: -139.751
where: short stacking energy: -64.213
Base-Backbone interact. energy: -0.206
local terms energy: -77.402004
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -203.046864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.046864 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -59.517
Base-Backbone interact. energy: -1.331
local terms energy: -74.111501
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -114.706086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.706086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.706086 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -45.053
Base-Backbone interact. energy: -0.048
local terms energy: -65.369244
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -103.687292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.687292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.687292 (E_RNA)
where:
Base-Base interactions energy: -51.029
where: short stacking energy: -42.162
Base-Backbone interact. energy: -2.148
local terms energy: -50.510799
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -99.757966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.757966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.757966 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -35.219
Base-Backbone interact. energy: -0.200
local terms energy: -55.543837
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -89.958617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.958617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.958617 (E_RNA)
where:
Base-Base interactions energy: -31.537
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.030
local terms energy: -58.391905
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -87.539315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.539315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.539315 (E_RNA)
where:
Base-Base interactions energy: -31.118
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.657
local terms energy: -55.763738
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -83.931035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.931035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.931035 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -26.368
Base-Backbone interact. energy: -0.188
local terms energy: -50.157285
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -72.870124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.870124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.870124 (E_RNA)
where:
Base-Base interactions energy: -19.272
where: short stacking energy: -19.272
Base-Backbone interact. energy: -0.336
local terms energy: -53.262524
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -222.354673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.354673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.354673 (E_RNA)
where:
Base-Base interactions energy: -139.292
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.564
local terms energy: -82.498839
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -217.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.087458 (E_RNA)
where:
Base-Base interactions energy: -140.625
where: short stacking energy: -63.184
Base-Backbone interact. energy: 0.110
local terms energy: -76.572568
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -210.163749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.163749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.163749 (E_RNA)
where:
Base-Base interactions energy: -135.185
where: short stacking energy: -64.482
Base-Backbone interact. energy: -0.105
local terms energy: -74.873018
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -111.861574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.861574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.861574 (E_RNA)
where:
Base-Base interactions energy: -49.875
where: short stacking energy: -44.266
Base-Backbone interact. energy: -0.013
local terms energy: -61.973240
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -102.120176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.120176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.120176 (E_RNA)
where:
Base-Base interactions energy: -48.196
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.265
local terms energy: -53.659692
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -99.085680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.085680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.085680 (E_RNA)
where:
Base-Base interactions energy: -45.228
where: short stacking energy: -32.252
Base-Backbone interact. energy: 0.009
local terms energy: -53.866749
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -93.835472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835472 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -30.704
Base-Backbone interact. energy: -0.179
local terms energy: -57.815345
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -88.545033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545033 (E_RNA)
where:
Base-Base interactions energy: -36.376
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.432
local terms energy: -51.736895
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.684017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.684017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.684017 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.676
local terms energy: -42.713998
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -80.672909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.672909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.672909 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.022
local terms energy: -48.947546
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -215.947691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.947691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.947691 (E_RNA)
where:
Base-Base interactions energy: -137.731
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.639
local terms energy: -77.577584
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -218.235493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.235493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.235493 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -67.704
Base-Backbone interact. energy: -0.438
local terms energy: -79.478078
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -209.917032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.917032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917032 (E_RNA)
where:
Base-Base interactions energy: -129.445
where: short stacking energy: -63.229
Base-Backbone interact. energy: -1.313
local terms energy: -79.158945
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -110.822807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.822807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.822807 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -40.285
Base-Backbone interact. energy: -0.492
local terms energy: -66.367188
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -108.637562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.637562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.637562 (E_RNA)
where:
Base-Base interactions energy: -53.056
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.584
local terms energy: -54.998189
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -100.377261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.377261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.377261 (E_RNA)
where:
Base-Base interactions energy: -39.907
where: short stacking energy: -38.967
Base-Backbone interact. energy: -0.019
local terms energy: -60.451954
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -102.713574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.713574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.713574 (E_RNA)
where:
Base-Base interactions energy: -42.642
where: short stacking energy: -34.603
Base-Backbone interact. energy: -0.086
local terms energy: -59.985534
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -88.614731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.614731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.614731 (E_RNA)
where:
Base-Base interactions energy: -29.806
where: short stacking energy: -22.752
Base-Backbone interact. energy: 0.179
local terms energy: -58.988506
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: 4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -91.243112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.243112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.243112 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.180
local terms energy: -52.901578
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -78.477404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.477404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.477404 (E_RNA)
where:
Base-Base interactions energy: -25.630
where: short stacking energy: -19.030
Base-Backbone interact. energy: 1.240
local terms energy: -54.087026
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -216.885598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.885598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.885598 (E_RNA)
where:
Base-Base interactions energy: -140.480
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.361
local terms energy: -76.044937
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -217.748168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748168 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.144
local terms energy: -76.634454
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -215.384181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.384181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.384181 (E_RNA)
where:
Base-Base interactions energy: -134.150
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.003
local terms energy: -81.231424
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -117.600928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.600928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.600928 (E_RNA)
where:
Base-Base interactions energy: -48.182
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.060
local terms energy: -69.358914
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -106.848044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.848044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.848044 (E_RNA)
where:
Base-Base interactions energy: -53.401
where: short stacking energy: -36.797
Base-Backbone interact. energy: -0.185
local terms energy: -53.262126
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -112.758332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.758332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.758332 (E_RNA)
where:
Base-Base interactions energy: -50.395
where: short stacking energy: -35.136
Base-Backbone interact. energy: -0.343
local terms energy: -62.020202
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -86.867380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.867380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.867380 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -25.743
Base-Backbone interact. energy: -0.216
local terms energy: -51.812719
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -95.308071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308071 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -36.094
Base-Backbone interact. energy: 0.910
local terms energy: -54.123977
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -90.392908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.392908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.392908 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.544
local terms energy: -49.489294
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -106.300619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.300619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.300619 (E_RNA)
where:
Base-Base interactions energy: -52.597
where: short stacking energy: -24.327
Base-Backbone interact. energy: -0.706
local terms energy: -52.997131
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -218.414532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.414532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.414532 (E_RNA)
where:
Base-Base interactions energy: -136.867
where: short stacking energy: -67.332
Base-Backbone interact. energy: 2.688
local terms energy: -84.235931
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -214.985532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.985532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.985532 (E_RNA)
where:
Base-Base interactions energy: -134.422
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.406
local terms energy: -80.158029
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -213.893393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893393 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -57.154
Base-Backbone interact. energy: 0.395
local terms energy: -83.584432
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -146.138778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.138778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.138778 (E_RNA)
where:
Base-Base interactions energy: -86.718
where: short stacking energy: -44.368
Base-Backbone interact. energy: -0.220
local terms energy: -59.200763
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -121.092644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.092644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.092644 (E_RNA)
where:
Base-Base interactions energy: -54.187
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.170
local terms energy: -66.735517
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -98.491648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.491648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.491648 (E_RNA)
where:
Base-Base interactions energy: -38.157
where: short stacking energy: -30.897
Base-Backbone interact. energy: -0.379
local terms energy: -59.955212
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -98.662543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.662543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.662543 (E_RNA)
where:
Base-Base interactions energy: -47.524
where: short stacking energy: -27.342
Base-Backbone interact. energy: 0.112
local terms energy: -51.251260
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -87.605014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605014 (E_RNA)
where:
Base-Base interactions energy: -42.120
where: short stacking energy: -36.380
Base-Backbone interact. energy: -1.198
local terms energy: -44.287314
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -7.049
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -82.583217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.583217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.583217 (E_RNA)
where:
Base-Base interactions energy: -28.122
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.760
local terms energy: -53.700278
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -80.648321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.648321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.648321 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.142
local terms energy: -50.002135
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -219.272933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.272933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.272933 (E_RNA)
where:
Base-Base interactions energy: -137.975
where: short stacking energy: -57.921
Base-Backbone interact. energy: 0.737
local terms energy: -82.035555
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -224.020009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.020009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.020009 (E_RNA)
where:
Base-Base interactions energy: -141.525
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.004
local terms energy: -82.491321
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -156.736987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.736987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.736987 (E_RNA)
where:
Base-Base interactions energy: -90.803
where: short stacking energy: -39.915
Base-Backbone interact. energy: -0.195
local terms energy: -65.739053
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -204.477897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477897 (E_RNA)
where:
Base-Base interactions energy: -129.686
where: short stacking energy: -56.915
Base-Backbone interact. energy: 0.046
local terms energy: -74.838025
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -127.346554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.346554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.346554 (E_RNA)
where:
Base-Base interactions energy: -61.865
where: short stacking energy: -48.256
Base-Backbone interact. energy: -0.003
local terms energy: -65.478309
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -99.141803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.141803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.141803 (E_RNA)
where:
Base-Base interactions energy: -41.460
where: short stacking energy: -37.873
Base-Backbone interact. energy: -0.300
local terms energy: -57.382458
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -95.629500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.629500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.629500 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.016
local terms energy: -57.639778
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -92.454780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.454780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.454780 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -31.818
Base-Backbone interact. energy: -0.696
local terms energy: -58.855312
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -99.026711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.026711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.026711 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -24.538
Base-Backbone interact. energy: -0.024
local terms energy: -58.422618
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -78.983546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.983546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.983546 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -23.008
Base-Backbone interact. energy: -0.438
local terms energy: -47.713526
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -220.322134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.322134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.322134 (E_RNA)
where:
Base-Base interactions energy: -139.713
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.046
local terms energy: -80.563050
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -213.588605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.588605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.588605 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.074
local terms energy: -71.198020
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -153.891345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.891345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.891345 (E_RNA)
where:
Base-Base interactions energy: -89.614
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.059
local terms energy: -64.218027
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -207.152105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.152105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.152105 (E_RNA)
where:
Base-Base interactions energy: -126.587
where: short stacking energy: -56.586
Base-Backbone interact. energy: -0.382
local terms energy: -80.183320
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -142.956565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.956565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.956565 (E_RNA)
where:
Base-Base interactions energy: -76.407
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.784
local terms energy: -65.764918
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -123.840077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.840077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.840077 (E_RNA)
where:
Base-Base interactions energy: -67.320
where: short stacking energy: -43.472
Base-Backbone interact. energy: 1.704
local terms energy: -58.224555
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -114.661457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.661457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.661457 (E_RNA)
where:
Base-Base interactions energy: -50.574
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.177
local terms energy: -63.910933
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -85.349027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.349027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.349027 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -29.170
Base-Backbone interact. energy: -1.169
local terms energy: -47.715231
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -90.175904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.175904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.175904 (E_RNA)
where:
Base-Base interactions energy: -39.576
where: short stacking energy: -28.024
Base-Backbone interact. energy: 0.185
local terms energy: -50.784790
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -75.044331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.044331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.044331 (E_RNA)
where:
Base-Base interactions energy: -29.398
where: short stacking energy: -23.633
Base-Backbone interact. energy: -0.421
local terms energy: -45.225229
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -232.394877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.394877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.394877 (E_RNA)
where:
Base-Base interactions energy: -145.746
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.109
local terms energy: -86.539694
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -220.956666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.956666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.956666 (E_RNA)
where:
Base-Base interactions energy: -142.811
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.109
local terms energy: -78.036822
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -210.065326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.065326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065326 (E_RNA)
where:
Base-Base interactions energy: -132.389
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.003
local terms energy: -77.672926
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -156.150424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.150424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.150424 (E_RNA)
where:
Base-Base interactions energy: -90.577
where: short stacking energy: -44.058
Base-Backbone interact. energy: -0.674
local terms energy: -64.899337
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -134.709548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.709548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.709548 (E_RNA)
where:
Base-Base interactions energy: -76.469
where: short stacking energy: -43.263
Base-Backbone interact. energy: -0.136
local terms energy: -58.104378
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -101.736439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.736439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.736439 (E_RNA)
where:
Base-Base interactions energy: -51.157
where: short stacking energy: -40.867
Base-Backbone interact. energy: 0.565
local terms energy: -51.144303
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -82.302052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.302052 (E_RNA)
where:
Base-Base interactions energy: -37.310
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.302
local terms energy: -44.690290
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -85.078261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078261 (E_RNA)
where:
Base-Base interactions energy: -34.487
where: short stacking energy: -30.791
Base-Backbone interact. energy: -0.075
local terms energy: -50.516404
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -107.051572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.051572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.051572 (E_RNA)
where:
Base-Base interactions energy: -58.945
where: short stacking energy: -38.927
Base-Backbone interact. energy: -0.166
local terms energy: -47.941384
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -79.511664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.511664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.511664 (E_RNA)
where:
Base-Base interactions energy: -20.537
where: short stacking energy: -18.620
Base-Backbone interact. energy: -0.038
local terms energy: -58.936984
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -215.759862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.759862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.759862 (E_RNA)
where:
Base-Base interactions energy: -133.722
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.419
local terms energy: -81.619294
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -219.464879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.464879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.464879 (E_RNA)
where:
Base-Base interactions energy: -136.224
where: short stacking energy: -59.383
Base-Backbone interact. energy: -0.001
local terms energy: -83.240225
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -211.837943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.837943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837943 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.109
local terms energy: -79.644269
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -165.294546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.294546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.294546 (E_RNA)
where:
Base-Base interactions energy: -96.798
where: short stacking energy: -50.043
Base-Backbone interact. energy: -0.415
local terms energy: -68.080991
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -109.775389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.775389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.775389 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -40.728
Base-Backbone interact. energy: -0.008
local terms energy: -69.039522
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -93.950083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.950083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.950083 (E_RNA)
where:
Base-Base interactions energy: -38.291
where: short stacking energy: -27.736
Base-Backbone interact. energy: 0.567
local terms energy: -56.226372
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -93.440930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.440930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.440930 (E_RNA)
where:
Base-Base interactions energy: -38.782
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.605
local terms energy: -54.053511
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -97.846918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.846918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.846918 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -40.813
Base-Backbone interact. energy: -0.086
local terms energy: -55.168294
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -77.879358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.879358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.879358 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.170
local terms energy: -51.630165
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -81.186016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.186016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.186016 (E_RNA)
where:
Base-Base interactions energy: -26.476
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.151
local terms energy: -54.558493
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -219.124101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.124101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.124101 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -53.226
Base-Backbone interact. energy: 0.649
local terms energy: -74.761413
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -216.783957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.783957 (E_RNA)
where:
Base-Base interactions energy: -127.624
where: short stacking energy: -54.936
Base-Backbone interact. energy: -0.598
local terms energy: -88.561490
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -213.556463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.556463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.556463 (E_RNA)
where:
Base-Base interactions energy: -132.969
where: short stacking energy: -64.093
Base-Backbone interact. energy: -0.004
local terms energy: -80.583305
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -157.291852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.291852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.291852 (E_RNA)
where:
Base-Base interactions energy: -95.697
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.150
local terms energy: -61.445271
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -107.281064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.281064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.281064 (E_RNA)
where:
Base-Base interactions energy: -45.957
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.000
local terms energy: -61.323798
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -111.137285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.137285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.137285 (E_RNA)
where:
Base-Base interactions energy: -50.868
where: short stacking energy: -43.465
Base-Backbone interact. energy: -0.193
local terms energy: -60.076222
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -93.602745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.602745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.602745 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -24.452
Base-Backbone interact. energy: 0.060
local terms energy: -62.263180
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -93.155811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.155811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.155811 (E_RNA)
where:
Base-Base interactions energy: -35.931
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.230
local terms energy: -56.994707
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -83.739903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739903 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.244
local terms energy: -45.514735
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -77.872573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.872573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.872573 (E_RNA)
where:
Base-Base interactions energy: -27.156
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.214
local terms energy: -50.502054
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -220.954229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.954229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.954229 (E_RNA)
where:
Base-Base interactions energy: -141.270
where: short stacking energy: -63.525
Base-Backbone interact. energy: -1.734
local terms energy: -77.950467
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -212.957077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.957077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.957077 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.288
local terms energy: -79.843910
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -206.286908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.286908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.286908 (E_RNA)
where:
Base-Base interactions energy: -128.912
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.010
local terms energy: -77.364481
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -143.653321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.653321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.653321 (E_RNA)
where:
Base-Base interactions energy: -76.624
where: short stacking energy: -43.274
Base-Backbone interact. energy: -0.217
local terms energy: -66.812684
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -120.023668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.023668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.023668 (E_RNA)
where:
Base-Base interactions energy: -52.558
where: short stacking energy: -52.558
Base-Backbone interact. energy: -0.091
local terms energy: -67.375271
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -98.858912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.858912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.858912 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -34.390
Base-Backbone interact. energy: -0.168
local terms energy: -63.011414
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -90.807023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.807023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.807023 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -38.435
Base-Backbone interact. energy: -0.199
local terms energy: -52.173322
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -95.997661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.997661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.997661 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.203
local terms energy: -54.956867
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -85.202016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202016 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -24.824
Base-Backbone interact. energy: -0.070
local terms energy: -48.517480
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -7.256
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -76.847146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.847146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.847146 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.226
local terms energy: -45.876202
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -224.012701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.012701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.012701 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.003
local terms energy: -75.737410
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -214.251387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.251387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.251387 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -67.006
Base-Backbone interact. energy: 1.747
local terms energy: -79.660941
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -206.229496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.229496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.229496 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.473
local terms energy: -78.994237
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -140.970093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.970093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.970093 (E_RNA)
where:
Base-Base interactions energy: -69.812
where: short stacking energy: -49.093
Base-Backbone interact. energy: -0.021
local terms energy: -71.136859
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -108.417554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.417554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.417554 (E_RNA)
where:
Base-Base interactions energy: -45.487
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.878
local terms energy: -62.052310
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -94.876275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.876275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.876275 (E_RNA)
where:
Base-Base interactions energy: -39.935
where: short stacking energy: -39.935
Base-Backbone interact. energy: -0.017
local terms energy: -54.925022
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -97.227937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.227937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.227937 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -34.979
Base-Backbone interact. energy: 0.020
local terms energy: -62.268197
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -87.083690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.083690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.083690 (E_RNA)
where:
Base-Base interactions energy: -30.793
where: short stacking energy: -29.332
Base-Backbone interact. energy: -0.303
local terms energy: -55.987913
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -95.729632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729632 (E_RNA)
where:
Base-Base interactions energy: -41.862
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.455
local terms energy: -53.412885
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -82.155038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.155038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.155038 (E_RNA)
where:
Base-Base interactions energy: -35.570
where: short stacking energy: -35.111
Base-Backbone interact. energy: -0.099
local terms energy: -46.485257
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -227.943029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.943029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.943029 (E_RNA)
where:
Base-Base interactions energy: -150.687
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.001
local terms energy: -77.255200
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -217.812767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.812767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.812767 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.058
local terms energy: -83.671517
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -194.476677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.476677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.476677 (E_RNA)
where:
Base-Base interactions energy: -123.181
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.011
local terms energy: -71.283953
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -158.665903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.665903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.665903 (E_RNA)
where:
Base-Base interactions energy: -80.157
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.010
local terms energy: -78.498492
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -111.556170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.556170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.556170 (E_RNA)
where:
Base-Base interactions energy: -44.872
where: short stacking energy: -38.783
Base-Backbone interact. energy: -0.099
local terms energy: -66.585733
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -101.660419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.660419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.660419 (E_RNA)
where:
Base-Base interactions energy: -40.488
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.122
local terms energy: -61.050960
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -100.522338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.522338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.522338 (E_RNA)
where:
Base-Base interactions energy: -46.173
where: short stacking energy: -34.537
Base-Backbone interact. energy: -1.552
local terms energy: -52.796960
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -117.746470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.746470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.746470 (E_RNA)
where:
Base-Base interactions energy: -58.372
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.608
local terms energy: -58.766772
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -88.521118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.521118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.521118 (E_RNA)
where:
Base-Base interactions energy: -37.877
where: short stacking energy: -38.266
Base-Backbone interact. energy: 0.312
local terms energy: -50.956873
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -81.036873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.036873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.036873 (E_RNA)
where:
Base-Base interactions energy: -33.313
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.215
local terms energy: -47.508642
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -230.515509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.515509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.515509 (E_RNA)
where:
Base-Base interactions energy: -151.996
where: short stacking energy: -75.982
Base-Backbone interact. energy: -0.001
local terms energy: -78.518177
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -214.690849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.690849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.690849 (E_RNA)
where:
Base-Base interactions energy: -132.457
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.290
local terms energy: -81.943823
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -193.512287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.512287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.512287 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -59.646
Base-Backbone interact. energy: -0.620
local terms energy: -77.992468
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -179.634460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.634460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.634460 (E_RNA)
where:
Base-Base interactions energy: -106.471
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.130
local terms energy: -73.034044
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -91.352554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352554 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.232
local terms energy: -61.646077
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -95.469727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.469727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.469727 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -29.013
Base-Backbone interact. energy: -0.382
local terms energy: -48.619389
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -87.486667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486667 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.293
local terms energy: -51.110154
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -84.785439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785439 (E_RNA)
where:
Base-Base interactions energy: -29.692
where: short stacking energy: -25.692
Base-Backbone interact. energy: 0.546
local terms energy: -55.639055
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -91.921482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.921482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.921482 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.122
local terms energy: -56.909508
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -88.384005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384005 (E_RNA)
where:
Base-Base interactions energy: -33.120
where: short stacking energy: -33.120
Base-Backbone interact. energy: -0.009
local terms energy: -55.255188
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -226.768643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.768643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.768643 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -65.180
Base-Backbone interact. energy: -0.002
local terms energy: -79.083312
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -218.313575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.313575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.313575 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.056
local terms energy: -76.139739
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -203.906582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.906582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.906582 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.003
local terms energy: -67.140837
where:
bonds (distance) C4'-P energy: -6.663
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -179.002678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.002678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.002678 (E_RNA)
where:
Base-Base interactions energy: -111.928
where: short stacking energy: -41.827
Base-Backbone interact. energy: -0.074
local terms energy: -67.000612
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -111.858069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.858069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.858069 (E_RNA)
where:
Base-Base interactions energy: -47.948
where: short stacking energy: -47.403
Base-Backbone interact. energy: -0.092
local terms energy: -63.818296
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -103.125785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125785 (E_RNA)
where:
Base-Base interactions energy: -46.564
where: short stacking energy: -43.848
Base-Backbone interact. energy: -0.027
local terms energy: -56.535700
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -99.696412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.696412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.696412 (E_RNA)
where:
Base-Base interactions energy: -45.228
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.180
local terms energy: -54.288547
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -89.611786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.611786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.611786 (E_RNA)
where:
Base-Base interactions energy: -37.027
where: short stacking energy: -31.814
Base-Backbone interact. energy: -0.170
local terms energy: -52.415175
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -76.331898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.331898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.331898 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.598
local terms energy: -42.729293
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -73.438905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.438905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.438905 (E_RNA)
where:
Base-Base interactions energy: -25.418
where: short stacking energy: -21.978
Base-Backbone interact. energy: -0.438
local terms energy: -47.583138
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -212.908478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.908478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.908478 (E_RNA)
where:
Base-Base interactions energy: -136.037
where: short stacking energy: -57.006
Base-Backbone interact. energy: 0.015
local terms energy: -76.886102
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -225.551349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.551349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.551349 (E_RNA)
where:
Base-Base interactions energy: -143.385
where: short stacking energy: -71.117
Base-Backbone interact. energy: 0.169
local terms energy: -82.334562
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -179.516842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.516842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.516842 (E_RNA)
where:
Base-Base interactions energy: -106.425
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.190
local terms energy: -72.902694
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -201.236760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.236760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.236760 (E_RNA)
where:
Base-Base interactions energy: -126.262
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.031
local terms energy: -74.944156
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -112.871827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.871827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.871827 (E_RNA)
where:
Base-Base interactions energy: -52.062
where: short stacking energy: -40.244
Base-Backbone interact. energy: -1.529
local terms energy: -59.280681
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -113.342200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.342200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.342200 (E_RNA)
where:
Base-Base interactions energy: -53.086
where: short stacking energy: -51.616
Base-Backbone interact. energy: 0.045
local terms energy: -60.301719
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -118.286108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.286108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.286108 (E_RNA)
where:
Base-Base interactions energy: -58.674
where: short stacking energy: -36.875
Base-Backbone interact. energy: 0.789
local terms energy: -60.401286
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -81.385006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.385006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.385006 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.029
local terms energy: -53.322571
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -88.857329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857329 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -30.109
Base-Backbone interact. energy: -0.479
local terms energy: -56.353226
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -89.701389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701389 (E_RNA)
where:
Base-Base interactions energy: -38.176
where: short stacking energy: -29.341
Base-Backbone interact. energy: -0.004
local terms energy: -51.521189
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -216.402373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402373 (E_RNA)
where:
Base-Base interactions energy: -136.861
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.035
local terms energy: -79.506905
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -222.549279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.549279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.549279 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.042
local terms energy: -82.092484
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -174.410168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.410168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.410168 (E_RNA)
where:
Base-Base interactions energy: -110.436
where: short stacking energy: -62.040
Base-Backbone interact. energy: 0.033
local terms energy: -64.007101
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -195.692389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.692389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.692389 (E_RNA)
where:
Base-Base interactions energy: -124.034
where: short stacking energy: -51.601
Base-Backbone interact. energy: -0.755
local terms energy: -70.903490
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -117.824582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.824582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.824582 (E_RNA)
where:
Base-Base interactions energy: -57.233
where: short stacking energy: -27.892
Base-Backbone interact. energy: -0.881
local terms energy: -59.710724
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -98.476804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.476804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.476804 (E_RNA)
where:
Base-Base interactions energy: -46.740
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.218
local terms energy: -51.518548
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -88.529522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.529522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.529522 (E_RNA)
where:
Base-Base interactions energy: -32.519
where: short stacking energy: -32.519
Base-Backbone interact. energy: 0.043
local terms energy: -56.053922
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -101.765451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.765451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.765451 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.303
local terms energy: -54.807451
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -81.819892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.819892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.819892 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -28.348
Base-Backbone interact. energy: 1.589
local terms energy: -52.296816
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -80.137010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137010 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.430
local terms energy: -47.774390
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -222.469075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.469075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.469075 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -67.749
Base-Backbone interact. energy: -0.361
local terms energy: -80.307557
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -209.155061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.155061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.155061 (E_RNA)
where:
Base-Base interactions energy: -134.045
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.831
local terms energy: -74.278946
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -217.060513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.060513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060513 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.318
local terms energy: -74.444707
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -169.346480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.346480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.346480 (E_RNA)
where:
Base-Base interactions energy: -104.880
where: short stacking energy: -56.659
Base-Backbone interact. energy: 0.938
local terms energy: -65.404078
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -132.116046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.116046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.116046 (E_RNA)
where:
Base-Base interactions energy: -68.065
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.229
local terms energy: -63.821753
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -107.347836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.347836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.347836 (E_RNA)
where:
Base-Base interactions energy: -54.819
where: short stacking energy: -40.049
Base-Backbone interact. energy: -0.206
local terms energy: -52.322408
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -90.863049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.863049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.863049 (E_RNA)
where:
Base-Base interactions energy: -38.816
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.246
local terms energy: -51.800728
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -103.037625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.037625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.037625 (E_RNA)
where:
Base-Base interactions energy: -63.987
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.571
local terms energy: -38.479428
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -85.310237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.310237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.310237 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -30.611
Base-Backbone interact. energy: 0.255
local terms energy: -53.484832
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -80.541095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.541095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.541095 (E_RNA)
where:
Base-Base interactions energy: -21.685
where: short stacking energy: -21.685
Base-Backbone interact. energy: -0.860
local terms energy: -57.995680
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -229.100712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.100712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.100712 (E_RNA)
where:
Base-Base interactions energy: -146.270
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.002
local terms energy: -82.829494
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -217.987976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.987976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.987976 (E_RNA)
where:
Base-Base interactions energy: -139.853
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.227
local terms energy: -77.907503
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -210.518176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.518176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.518176 (E_RNA)
where:
Base-Base interactions energy: -126.975
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.004
local terms energy: -83.539314
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -132.990736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.990736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.990736 (E_RNA)
where:
Base-Base interactions energy: -80.467
where: short stacking energy: -37.539
Base-Backbone interact. energy: -0.288
local terms energy: -52.235472
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -143.845652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.845652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.845652 (E_RNA)
where:
Base-Base interactions energy: -71.736
where: short stacking energy: -35.963
Base-Backbone interact. energy: -0.207
local terms energy: -71.902720
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -93.534460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.534460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.534460 (E_RNA)
where:
Base-Base interactions energy: -38.149
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.246
local terms energy: -55.138623
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -98.477580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.477580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.477580 (E_RNA)
where:
Base-Base interactions energy: -42.844
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.405
local terms energy: -55.227960
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -85.946475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.946475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.946475 (E_RNA)
where:
Base-Base interactions energy: -41.948
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.086
local terms energy: -43.913014
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -0.848
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -84.708345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.708345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.708345 (E_RNA)
where:
Base-Base interactions energy: -29.942
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.333
local terms energy: -54.433527
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -74.725067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.725067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.725067 (E_RNA)
where:
Base-Base interactions energy: -19.321
where: short stacking energy: -18.893
Base-Backbone interact. energy: -0.054
local terms energy: -55.350317
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -217.991651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.991651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.991651 (E_RNA)
where:
Base-Base interactions energy: -137.018
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.001
local terms energy: -80.973505
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -210.362968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.362968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.362968 (E_RNA)
where:
Base-Base interactions energy: -134.775
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.042
local terms energy: -75.545657
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -202.895093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.895093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.895093 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.915
local terms energy: -69.521431
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -144.492260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.492260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.492260 (E_RNA)
where:
Base-Base interactions energy: -77.450
where: short stacking energy: -55.489
Base-Backbone interact. energy: -0.343
local terms energy: -66.699195
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -99.178594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.178594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.178594 (E_RNA)
where:
Base-Base interactions energy: -35.761
where: short stacking energy: -35.761
Base-Backbone interact. energy: -0.304
local terms energy: -63.113288
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -144.872696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.872696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.872696 (E_RNA)
where:
Base-Base interactions energy: -81.513
where: short stacking energy: -56.558
Base-Backbone interact. energy: 1.395
local terms energy: -64.754844
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -97.347520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.347520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.347520 (E_RNA)
where:
Base-Base interactions energy: -43.157
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.162
local terms energy: -54.028462
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -98.540931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.540931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.540931 (E_RNA)
where:
Base-Base interactions energy: -44.879
where: short stacking energy: -38.456
Base-Backbone interact. energy: 0.064
local terms energy: -53.725934
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -73.045130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.045130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.045130 (E_RNA)
where:
Base-Base interactions energy: -20.723
where: short stacking energy: -20.515
Base-Backbone interact. energy: -2.576
local terms energy: -49.746581
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -8.137
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -80.306056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306056 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -31.520
Base-Backbone interact. energy: -0.218
local terms energy: -42.675216
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -214.887031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.887031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.887031 (E_RNA)
where:
Base-Base interactions energy: -134.781
where: short stacking energy: -65.844
Base-Backbone interact. energy: -0.004
local terms energy: -80.101532
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -212.744107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.744107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.744107 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -56.156
Base-Backbone interact. energy: -0.120
local terms energy: -78.438340
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -210.232366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.232366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.232366 (E_RNA)
where:
Base-Base interactions energy: -133.223
where: short stacking energy: -63.839
Base-Backbone interact. energy: -0.612
local terms energy: -76.397994
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -171.877246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.877246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.877246 (E_RNA)
where:
Base-Base interactions energy: -110.259
where: short stacking energy: -52.508
Base-Backbone interact. energy: -0.458
local terms energy: -61.160482
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -108.613064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.613064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.613064 (E_RNA)
where:
Base-Base interactions energy: -52.184
where: short stacking energy: -45.669
Base-Backbone interact. energy: -0.233
local terms energy: -56.196305
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -136.963848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.963848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.963848 (E_RNA)
where:
Base-Base interactions energy: -70.410
where: short stacking energy: -45.093
Base-Backbone interact. energy: -0.887
local terms energy: -65.666867
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -98.326967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.326967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.326967 (E_RNA)
where:
Base-Base interactions energy: -44.681
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.162
local terms energy: -53.483359
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -84.423749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.423749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.423749 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -27.107
Base-Backbone interact. energy: -0.090
local terms energy: -49.741880
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -8.962
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -93.357002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.357002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.357002 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -26.243
Base-Backbone interact. energy: 0.388
local terms energy: -53.101191
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -79.104922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.104922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.104922 (E_RNA)
where:
Base-Base interactions energy: -42.111
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.094
local terms energy: -36.899231
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: 3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -222.514051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.514051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.514051 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.003
local terms energy: -86.179244
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -211.883815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.883815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.883815 (E_RNA)
where:
Base-Base interactions energy: -133.763
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.928
local terms energy: -77.192772
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -196.785744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.785744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.785744 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -64.320
Base-Backbone interact. energy: -1.207
local terms energy: -68.580042
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -206.155264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.155264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.155264 (E_RNA)
where:
Base-Base interactions energy: -133.356
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.109
local terms energy: -72.690320
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -143.355348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.355348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.355348 (E_RNA)
where:
Base-Base interactions energy: -82.711
where: short stacking energy: -51.379
Base-Backbone interact. energy: -1.117
local terms energy: -59.527672
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -92.200319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200319 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -35.461
Base-Backbone interact. energy: -0.220
local terms energy: -56.519541
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -99.861809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.861809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.861809 (E_RNA)
where:
Base-Base interactions energy: -43.990
where: short stacking energy: -38.549
Base-Backbone interact. energy: -0.296
local terms energy: -55.575296
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -98.060942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.060942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.060942 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.557
local terms energy: -57.838850
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -87.705871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705871 (E_RNA)
where:
Base-Base interactions energy: -35.402
where: short stacking energy: -35.077
Base-Backbone interact. energy: -0.097
local terms energy: -52.206438
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -84.319020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.319020 (E_RNA)
where:
Base-Base interactions energy: -22.546
where: short stacking energy: -22.468
Base-Backbone interact. energy: -0.178
local terms energy: -61.595080
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -216.823249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.823249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.823249 (E_RNA)
where:
Base-Base interactions energy: -134.729
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.713
local terms energy: -81.381021
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -205.661811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.661811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.661811 (E_RNA)
where:
Base-Base interactions energy: -132.040
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.605
local terms energy: -73.017216
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -193.597437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.597437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.597437 (E_RNA)
where:
Base-Base interactions energy: -116.719
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.005
local terms energy: -76.874026
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -153.631368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.631368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.631368 (E_RNA)
where:
Base-Base interactions energy: -93.748
where: short stacking energy: -54.763
Base-Backbone interact. energy: 0.422
local terms energy: -60.305398
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -192.610106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.610106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.610106 (E_RNA)
where:
Base-Base interactions energy: -123.903
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.101
local terms energy: -68.605352
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -92.544502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.544502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.544502 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -28.016
Base-Backbone interact. energy: -0.096
local terms energy: -60.019468
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -86.543700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.543700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.543700 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.296
local terms energy: -57.720753
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -94.305562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.305562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.305562 (E_RNA)
where:
Base-Base interactions energy: -40.375
where: short stacking energy: -40.375
Base-Backbone interact. energy: -0.071
local terms energy: -53.859494
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -87.169404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.169404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.169404 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -28.510
Base-Backbone interact. energy: -0.285
local terms energy: -52.548912
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -77.522157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.522157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.522157 (E_RNA)
where:
Base-Base interactions energy: -26.377
where: short stacking energy: -19.004
Base-Backbone interact. energy: 1.206
local terms energy: -52.351420
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -221.474081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.474081 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -67.439
Base-Backbone interact. energy: -0.404
local terms energy: -81.134446
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -216.084932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.084932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.084932 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.148
local terms energy: -82.917586
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -204.389588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.389588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389588 (E_RNA)
where:
Base-Base interactions energy: -127.486
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.335
local terms energy: -76.568429
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -154.250308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.250308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.250308 (E_RNA)
where:
Base-Base interactions energy: -82.481
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.383
local terms energy: -71.386159
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -204.404620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.404620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.404620 (E_RNA)
where:
Base-Base interactions energy: -138.908
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.255
local terms energy: -65.240811
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -89.872399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.872399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.872399 (E_RNA)
where:
Base-Base interactions energy: -33.664
where: short stacking energy: -33.664
Base-Backbone interact. energy: -0.262
local terms energy: -55.946730
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -88.134018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134018 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -20.564
Base-Backbone interact. energy: -0.277
local terms energy: -54.221520
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -80.696901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.696901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.696901 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.345
local terms energy: -45.595097
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -1.208
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -80.718013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.718013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.718013 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -29.032
Base-Backbone interact. energy: -0.957
local terms energy: -48.282312
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -71.113737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.113737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.113737 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -22.845
Base-Backbone interact. energy: 0.465
local terms energy: -44.177484
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: 2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -220.035176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.035176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.035176 (E_RNA)
where:
Base-Base interactions energy: -135.817
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.002
local terms energy: -84.215258
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -212.601029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.601029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.601029 (E_RNA)
where:
Base-Base interactions energy: -134.812
where: short stacking energy: -64.172
Base-Backbone interact. energy: -0.005
local terms energy: -77.783823
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -213.220100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.220100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.220100 (E_RNA)
where:
Base-Base interactions energy: -136.520
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.476
local terms energy: -76.224018
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -194.308844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.308844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.308844 (E_RNA)
where:
Base-Base interactions energy: -113.897
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.384
local terms energy: -80.027714
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -110.145060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.145060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.145060 (E_RNA)
where:
Base-Base interactions energy: -55.155
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.217
local terms energy: -54.772640
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -102.677121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.677121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.677121 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.659
local terms energy: -57.572632
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -89.987524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.987524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.987524 (E_RNA)
where:
Base-Base interactions energy: -30.122
where: short stacking energy: -30.122
Base-Backbone interact. energy: -0.155
local terms energy: -59.710533
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -78.730805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730805 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -25.924
Base-Backbone interact. energy: -0.520
local terms energy: -48.548722
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -79.235419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235419 (E_RNA)
where:
Base-Base interactions energy: -28.977
where: short stacking energy: -25.509
Base-Backbone interact. energy: -0.124
local terms energy: -50.135050
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -80.797932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797932 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.210
local terms energy: -40.247739
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -6.541
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -219.690024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690024 (E_RNA)
where:
Base-Base interactions energy: -137.375
where: short stacking energy: -64.758
Base-Backbone interact. energy: -0.702
local terms energy: -81.613447
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -217.375509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.375509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.375509 (E_RNA)
where:
Base-Base interactions energy: -136.632
where: short stacking energy: -67.401
Base-Backbone interact. energy: -0.192
local terms energy: -80.551035
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -209.513815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.513815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.513815 (E_RNA)
where:
Base-Base interactions energy: -137.206
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.308
local terms energy: -71.999033
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -204.857260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.857260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.857260 (E_RNA)
where:
Base-Base interactions energy: -127.491
where: short stacking energy: -55.491
Base-Backbone interact. energy: -0.350
local terms energy: -77.016355
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -118.241900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.241900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.241900 (E_RNA)
where:
Base-Base interactions energy: -65.862
where: short stacking energy: -47.531
Base-Backbone interact. energy: -0.129
local terms energy: -52.250778
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -105.229669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.229669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.229669 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -35.528
Base-Backbone interact. energy: 0.631
local terms energy: -69.080647
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -103.034376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.034376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.034376 (E_RNA)
where:
Base-Base interactions energy: -45.669
where: short stacking energy: -42.707
Base-Backbone interact. energy: 2.801
local terms energy: -60.166490
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -88.502166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502166 (E_RNA)
where:
Base-Base interactions energy: -37.730
where: short stacking energy: -35.503
Base-Backbone interact. energy: 1.337
local terms energy: -52.108907
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -87.417802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.417802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.417802 (E_RNA)
where:
Base-Base interactions energy: -28.633
where: short stacking energy: -26.700
Base-Backbone interact. energy: -0.175
local terms energy: -58.609497
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.630526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.630526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.630526 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.087
local terms energy: -51.348854
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -220.378420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.378420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.378420 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.178
local terms energy: -79.815218
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -211.377758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.377758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.377758 (E_RNA)
where:
Base-Base interactions energy: -131.977
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.071
local terms energy: -79.329160
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -208.684685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.684685 (E_RNA)
where:
Base-Base interactions energy: -131.109
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.291
local terms energy: -77.284935
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -208.925725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.925725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.925725 (E_RNA)
where:
Base-Base interactions energy: -131.248
where: short stacking energy: -53.372
Base-Backbone interact. energy: -1.720
local terms energy: -75.957587
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -118.295087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.295087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.295087 (E_RNA)
where:
Base-Base interactions energy: -62.634
where: short stacking energy: -39.198
Base-Backbone interact. energy: -0.213
local terms energy: -55.447979
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -100.450440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.450440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.450440 (E_RNA)
where:
Base-Base interactions energy: -41.376
where: short stacking energy: -31.187
Base-Backbone interact. energy: -0.909
local terms energy: -58.165250
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -97.438356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.438356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.438356 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -28.182
Base-Backbone interact. energy: -0.106
local terms energy: -60.032539
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -88.141307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.141307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.141307 (E_RNA)
where:
Base-Base interactions energy: -37.482
where: short stacking energy: -36.500
Base-Backbone interact. energy: -0.007
local terms energy: -50.652891
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.814811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.814811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.814811 (E_RNA)
where:
Base-Base interactions energy: -29.968
where: short stacking energy: -30.029
Base-Backbone interact. energy: 0.019
local terms energy: -57.865213
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -77.859052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.859052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.859052 (E_RNA)
where:
Base-Base interactions energy: -34.770
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.157
local terms energy: -42.932887
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -225.688198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.688198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.688198 (E_RNA)
where:
Base-Base interactions energy: -143.578
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.498
local terms energy: -81.612595
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -213.047991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.047991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.047991 (E_RNA)
where:
Base-Base interactions energy: -138.629
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.465
local terms energy: -73.954454
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -230.925933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.925933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.925933 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -71.366
Base-Backbone interact. energy: 0.048
local terms energy: -84.648982
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -204.869668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.869668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.869668 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.013
local terms energy: -76.998575
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -98.139376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.139376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.139376 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.088
local terms energy: -60.159838
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -108.733351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.733351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.733351 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -41.191
Base-Backbone interact. energy: -0.076
local terms energy: -67.466945
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -101.210098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.210098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.210098 (E_RNA)
where:
Base-Base interactions energy: -41.165
where: short stacking energy: -40.301
Base-Backbone interact. energy: 0.633
local terms energy: -60.678125
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -88.800259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.800259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.800259 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -31.138
Base-Backbone interact. energy: -0.177
local terms energy: -48.672293
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -80.138941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138941 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.099
local terms energy: -44.496380
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -83.996362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.996362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.996362 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.192
local terms energy: -50.048615
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -220.286909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.286909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.286909 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.049
local terms energy: -81.739062
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -227.649590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.649590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.649590 (E_RNA)
where:
Base-Base interactions energy: -151.134
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.118
local terms energy: -76.397792
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -219.075133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.075133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.075133 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.158
local terms energy: -80.593998
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -206.807242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.807242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.807242 (E_RNA)
where:
Base-Base interactions energy: -125.404
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.624
local terms energy: -80.779492
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -99.723470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.723470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.723470 (E_RNA)
where:
Base-Base interactions energy: -40.361
where: short stacking energy: -39.583
Base-Backbone interact. energy: -1.299
local terms energy: -58.063587
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -108.297622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.297622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.297622 (E_RNA)
where:
Base-Base interactions energy: -42.838
where: short stacking energy: -39.832
Base-Backbone interact. energy: -0.155
local terms energy: -65.304875
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -93.062821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.062821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.062821 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.262
local terms energy: -57.359036
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -92.829382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.829382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.829382 (E_RNA)
where:
Base-Base interactions energy: -36.916
where: short stacking energy: -36.916
Base-Backbone interact. energy: -0.453
local terms energy: -55.460733
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -75.814950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.814950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.814950 (E_RNA)
where:
Base-Base interactions energy: -25.342
where: short stacking energy: -19.675
Base-Backbone interact. energy: -0.206
local terms energy: -50.267471
where:
bonds (distance) C4'-P energy: -5.367
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -81.910584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.910584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.910584 (E_RNA)
where:
Base-Base interactions energy: -31.816
where: short stacking energy: -31.816
Base-Backbone interact. energy: -0.058
local terms energy: -50.035989
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: 2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -231.032370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.032370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.032370 (E_RNA)
where:
Base-Base interactions energy: -143.159
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.105
local terms energy: -87.767505
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -205.692780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.692780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.692780 (E_RNA)
where:
Base-Base interactions energy: -134.355
where: short stacking energy: -58.035
Base-Backbone interact. energy: -0.473
local terms energy: -70.864865
where:
bonds (distance) C4'-P energy: -6.169
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -202.705905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.705905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.705905 (E_RNA)
where:
Base-Base interactions energy: -125.060
where: short stacking energy: -60.814
Base-Backbone interact. energy: -1.126
local terms energy: -76.520442
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -204.558454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.558454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.558454 (E_RNA)
where:
Base-Base interactions energy: -133.606
where: short stacking energy: -56.032
Base-Backbone interact. energy: 0.395
local terms energy: -71.347399
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -99.931105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.931105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.931105 (E_RNA)
where:
Base-Base interactions energy: -52.041
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.029
local terms energy: -47.861386
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -110.180652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.180652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.180652 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -42.225
Base-Backbone interact. energy: -0.104
local terms energy: -65.110387
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -98.647909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.647909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.647909 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -40.140
Base-Backbone interact. energy: -0.656
local terms energy: -58.367010
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -79.685696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685696 (E_RNA)
where:
Base-Base interactions energy: -25.430
where: short stacking energy: -20.361
Base-Backbone interact. energy: -0.475
local terms energy: -53.780312
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -87.138957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.138957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.138957 (E_RNA)
where:
Base-Base interactions energy: -35.571
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.071
local terms energy: -51.496997
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -78.843076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.843076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.843076 (E_RNA)
where:
Base-Base interactions energy: -30.949
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.061
local terms energy: -47.833620
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -224.718199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.718199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.718199 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.051
local terms energy: -81.009074
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -223.007383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.007383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.007383 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.006
local terms energy: -87.765480
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -214.954055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954055 (E_RNA)
where:
Base-Base interactions energy: -140.114
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.615
local terms energy: -74.224895
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -188.301989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.301989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.301989 (E_RNA)
where:
Base-Base interactions energy: -118.865
where: short stacking energy: -51.006
Base-Backbone interact. energy: -0.196
local terms energy: -69.241321
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -111.129185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.129185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.129185 (E_RNA)
where:
Base-Base interactions energy: -47.356
where: short stacking energy: -46.193
Base-Backbone interact. energy: 1.582
local terms energy: -65.355596
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -11.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -106.572090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.572090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.572090 (E_RNA)
where:
Base-Base interactions energy: -41.357
where: short stacking energy: -40.124
Base-Backbone interact. energy: -0.565
local terms energy: -64.650046
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -92.350277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.350277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.350277 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -32.108
Base-Backbone interact. energy: -0.111
local terms energy: -59.917234
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -89.227684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.227684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.227684 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.218
local terms energy: -51.115838
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -7.096
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -76.666911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.666911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.666911 (E_RNA)
where:
Base-Base interactions energy: -19.103
where: short stacking energy: -19.103
Base-Backbone interact. energy: 1.638
local terms energy: -59.201704
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -78.871241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.871241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.871241 (E_RNA)
where:
Base-Base interactions energy: -23.878
where: short stacking energy: -20.106
Base-Backbone interact. energy: -0.325
local terms energy: -54.668919
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -232.818358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.818358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.818358 (E_RNA)
where:
Base-Base interactions energy: -148.936
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.000
local terms energy: -83.882398
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -204.620947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.620947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.620947 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.007
local terms energy: -75.144227
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -206.153795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.153795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.153795 (E_RNA)
where:
Base-Base interactions energy: -136.390
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.478
local terms energy: -69.285104
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -209.523972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.523972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.523972 (E_RNA)
where:
Base-Base interactions energy: -129.374
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.645
local terms energy: -79.505093
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -113.849713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.849713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.849713 (E_RNA)
where:
Base-Base interactions energy: -46.225
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.376
local terms energy: -67.247987
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -104.584847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.584847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.584847 (E_RNA)
where:
Base-Base interactions energy: -43.892
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.131
local terms energy: -60.561939
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -87.215783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.215783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.215783 (E_RNA)
where:
Base-Base interactions energy: -28.465
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.168
local terms energy: -58.582618
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -80.014362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.014362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.014362 (E_RNA)
where:
Base-Base interactions energy: -28.953
where: short stacking energy: -18.956
Base-Backbone interact. energy: 0.268
local terms energy: -51.328635
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: 0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -87.229921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229921 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -23.385
Base-Backbone interact. energy: -0.675
local terms energy: -50.873674
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -81.680415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.680415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.680415 (E_RNA)
where:
Base-Base interactions energy: -33.138
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.104
local terms energy: -48.438499
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -229.716004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.716004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.716004 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.003
local terms energy: -85.360734
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -224.388582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.388582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.388582 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.406
local terms energy: -83.998685
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -220.541201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.541201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.541201 (E_RNA)
where:
Base-Base interactions energy: -145.332
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.204
local terms energy: -75.005107
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -203.527805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.527805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.527805 (E_RNA)
where:
Base-Base interactions energy: -130.718
where: short stacking energy: -51.984
Base-Backbone interact. energy: -0.109
local terms energy: -72.701440
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -106.980333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.980333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.980333 (E_RNA)
where:
Base-Base interactions energy: -46.868
where: short stacking energy: -36.235
Base-Backbone interact. energy: 0.203
local terms energy: -60.315868
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -90.508696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.508696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.508696 (E_RNA)
where:
Base-Base interactions energy: -51.293
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.685
local terms energy: -38.530609
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -103.021213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.021213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.021213 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -37.324
Base-Backbone interact. energy: -0.066
local terms energy: -53.959913
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -87.618893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.618893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.618893 (E_RNA)
where:
Base-Base interactions energy: -30.168
where: short stacking energy: -30.168
Base-Backbone interact. energy: -0.060
local terms energy: -57.390399
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -88.893492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.893492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.893492 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -27.027
Base-Backbone interact. energy: -0.184
local terms energy: -51.358475
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -85.387666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387666 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.799
local terms energy: -37.852127
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -4.492
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -225.781871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.781871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.781871 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.001
local terms energy: -83.217522
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -222.482632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.482632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.482632 (E_RNA)
where:
Base-Base interactions energy: -141.775
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.529
local terms energy: -80.179144
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -207.680754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.680754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.680754 (E_RNA)
where:
Base-Base interactions energy: -131.589
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.073
local terms energy: -76.017925
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -194.097051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.097051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.097051 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.002
local terms energy: -63.016569
where:
bonds (distance) C4'-P energy: -4.340
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -101.359918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359918 (E_RNA)
where:
Base-Base interactions energy: -48.214
where: short stacking energy: -20.612
Base-Backbone interact. energy: 0.445
local terms energy: -53.590681
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -105.183001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.183001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.183001 (E_RNA)
where:
Base-Base interactions energy: -44.532
where: short stacking energy: -36.033
Base-Backbone interact. energy: -0.169
local terms energy: -60.482254
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -84.249361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.249361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.249361 (E_RNA)
where:
Base-Base interactions energy: -24.556
where: short stacking energy: -24.092
Base-Backbone interact. energy: 0.692
local terms energy: -60.384572
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -92.188251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.188251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.188251 (E_RNA)
where:
Base-Base interactions energy: -38.874
where: short stacking energy: -38.387
Base-Backbone interact. energy: -0.349
local terms energy: -52.965500
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -98.283308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.283308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.283308 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.040
local terms energy: -56.996948
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -76.950362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950362 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -23.497
Base-Backbone interact. energy: -0.120
local terms energy: -40.072242
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -4.389
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: 5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -225.190654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.190654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.190654 (E_RNA)
where:
Base-Base interactions energy: -150.018
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.003
local terms energy: -75.169759
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -217.096220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.096220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.096220 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.107
local terms energy: -84.000829
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -217.011333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.011333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.011333 (E_RNA)
where:
Base-Base interactions energy: -142.597
where: short stacking energy: -68.107
Base-Backbone interact. energy: -0.032
local terms energy: -74.381884
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -209.368343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.368343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.368343 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -60.578
Base-Backbone interact. energy: 0.917
local terms energy: -69.163323
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -121.846224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.846224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.846224 (E_RNA)
where:
Base-Base interactions energy: -62.160
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.672
local terms energy: -59.013993
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -114.290416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.290416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.290416 (E_RNA)
where:
Base-Base interactions energy: -54.226
where: short stacking energy: -45.303
Base-Backbone interact. energy: -0.014
local terms energy: -60.050233
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -94.099129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099129 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -28.546
Base-Backbone interact. energy: 1.394
local terms energy: -55.601203
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -96.953301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.953301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.953301 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.009
local terms energy: -59.079132
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -105.340695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.340695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.340695 (E_RNA)
where:
Base-Base interactions energy: -48.066
where: short stacking energy: -38.465
Base-Backbone interact. energy: 1.156
local terms energy: -58.430247
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -1.015
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -88.125924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125924 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.040
local terms energy: -53.668422
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -221.382113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.382113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.382113 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.004
local terms energy: -81.048529
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -223.668311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.668311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.668311 (E_RNA)
where:
Base-Base interactions energy: -143.633
where: short stacking energy: -65.169
Base-Backbone interact. energy: -0.000
local terms energy: -80.035349
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -214.507588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.507588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.507588 (E_RNA)
where:
Base-Base interactions energy: -135.070
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.002
local terms energy: -79.435451
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -203.495531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.495531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.495531 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.453
local terms energy: -72.689943
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -102.175939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.175939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.175939 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -39.693
Base-Backbone interact. energy: -0.008
local terms energy: -60.782958
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -111.276497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.276497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.276497 (E_RNA)
where:
Base-Base interactions energy: -52.747
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.197
local terms energy: -58.332883
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -94.190522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.190522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.190522 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -34.323
Base-Backbone interact. energy: -0.257
local terms energy: -59.819710
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -87.823236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.823236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.823236 (E_RNA)
where:
Base-Base interactions energy: -29.695
where: short stacking energy: -27.863
Base-Backbone interact. energy: 0.818
local terms energy: -58.946150
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -80.563099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.563099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.563099 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -32.333
Base-Backbone interact. energy: -0.400
local terms energy: -46.312470
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -86.165302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.165302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.165302 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -25.125
Base-Backbone interact. energy: 0.685
local terms energy: -49.558601
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -218.644647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.644647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.644647 (E_RNA)
where:
Base-Base interactions energy: -135.515
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.044
local terms energy: -83.085632
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -222.154317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.154317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154317 (E_RNA)
where:
Base-Base interactions energy: -144.346
where: short stacking energy: -68.520
Base-Backbone interact. energy: -0.002
local terms energy: -77.806449
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -216.852927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.852927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.852927 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.005
local terms energy: -73.319251
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -208.749079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.749079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.749079 (E_RNA)
where:
Base-Base interactions energy: -131.424
where: short stacking energy: -53.710
Base-Backbone interact. energy: -0.324
local terms energy: -77.001014
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -104.244341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.244341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.244341 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.043
local terms energy: -61.442819
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -106.698989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.698989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.698989 (E_RNA)
where:
Base-Base interactions energy: -38.443
where: short stacking energy: -38.018
Base-Backbone interact. energy: -0.094
local terms energy: -68.161975
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -97.845055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.845055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.845055 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.513
local terms energy: -59.373917
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -78.780692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.780692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.780692 (E_RNA)
where:
Base-Base interactions energy: -22.703
where: short stacking energy: -23.403
Base-Backbone interact. energy: -0.217
local terms energy: -55.860536
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -91.443704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443704 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.496
local terms energy: -49.727487
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -97.951459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.951459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.951459 (E_RNA)
where:
Base-Base interactions energy: -46.810
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.081
local terms energy: -51.060407
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -224.498906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.498906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.498906 (E_RNA)
where:
Base-Base interactions energy: -140.557
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.489
local terms energy: -83.452525
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -223.486492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.486492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.486492 (E_RNA)
where:
Base-Base interactions energy: -143.282
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.003
local terms energy: -80.201680
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -216.235313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.235313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.235313 (E_RNA)
where:
Base-Base interactions energy: -136.457
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.415
local terms energy: -79.362673
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -205.129762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.129762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.129762 (E_RNA)
where:
Base-Base interactions energy: -131.895
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.058
local terms energy: -73.176167
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -128.610195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.610195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.610195 (E_RNA)
where:
Base-Base interactions energy: -70.530
where: short stacking energy: -45.185
Base-Backbone interact. energy: 0.986
local terms energy: -59.065846
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -106.286802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.286802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.286802 (E_RNA)
where:
Base-Base interactions energy: -46.945
where: short stacking energy: -43.857
Base-Backbone interact. energy: 1.248
local terms energy: -60.589605
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -2.067
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -95.954742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.954742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.954742 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.142
local terms energy: -57.536089
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -95.779880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.779880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.779880 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -46.387
Base-Backbone interact. energy: -0.613
local terms energy: -48.779744
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -94.403632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.403632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.403632 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.139
local terms energy: -58.406753
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -84.320536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.320536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.320536 (E_RNA)
where:
Base-Base interactions energy: -29.226
where: short stacking energy: -28.780
Base-Backbone interact. energy: 3.919
local terms energy: -59.013709
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -215.709112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.709112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.709112 (E_RNA)
where:
Base-Base interactions energy: -134.033
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.008
local terms energy: -81.668407
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -221.955740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.955740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.955740 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.524
local terms energy: -78.842792
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -211.047498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047498 (E_RNA)
where:
Base-Base interactions energy: -136.161
where: short stacking energy: -69.690
Base-Backbone interact. energy: -0.009
local terms energy: -74.877818
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -211.272562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.272562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.272562 (E_RNA)
where:
Base-Base interactions energy: -131.889
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.098
local terms energy: -79.285067
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -118.334394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.334394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.334394 (E_RNA)
where:
Base-Base interactions energy: -53.185
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.002
local terms energy: -65.147738
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -106.217651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.217651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.217651 (E_RNA)
where:
Base-Base interactions energy: -44.524
where: short stacking energy: -38.962
Base-Backbone interact. energy: -0.047
local terms energy: -61.646679
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -96.126196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.126196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.126196 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.129
local terms energy: -55.270340
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -87.224186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224186 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -25.530
Base-Backbone interact. energy: -0.274
local terms energy: -56.554632
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -76.961220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.961220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.961220 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -27.063
Base-Backbone interact. energy: -0.762
local terms energy: -40.057847
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -1.319
tors. eta vs tors. theta energy: 4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -78.971093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.971093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.971093 (E_RNA)
where:
Base-Base interactions energy: -37.175
where: short stacking energy: -31.613
Base-Backbone interact. energy: -0.188
local terms energy: -41.608156
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -220.696104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.696104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.696104 (E_RNA)
where:
Base-Base interactions energy: -135.276
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.641
local terms energy: -84.779264
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -219.125342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.125342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.125342 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.335
local terms energy: -81.265564
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -213.281833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.281833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.281833 (E_RNA)
where:
Base-Base interactions energy: -142.301
where: short stacking energy: -69.529
Base-Backbone interact. energy: -0.003
local terms energy: -70.977599
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -203.108982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.108982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.108982 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -57.727
Base-Backbone interact. energy: -1.400
local terms energy: -72.344579
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -113.870336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.870336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.870336 (E_RNA)
where:
Base-Base interactions energy: -57.546
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.049
local terms energy: -56.275446
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -104.822800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.822800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.822800 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -42.843
Base-Backbone interact. energy: 0.380
local terms energy: -52.916294
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -117.183845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.183845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.183845 (E_RNA)
where:
Base-Base interactions energy: -58.169
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.162
local terms energy: -58.853276
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -88.219264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219264 (E_RNA)
where:
Base-Base interactions energy: -39.558
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.112
local terms energy: -48.549525
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -104.901914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.901914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.901914 (E_RNA)
where:
Base-Base interactions energy: -47.356
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.209
local terms energy: -57.337511
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -78.168256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.168256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.168256 (E_RNA)
where:
Base-Base interactions energy: -26.530
where: short stacking energy: -25.606
Base-Backbone interact. energy: -0.294
local terms energy: -51.344643
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -218.667774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.667774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.667774 (E_RNA)
where:
Base-Base interactions energy: -138.305
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.010
local terms energy: -80.352907
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -221.735294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.735294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.735294 (E_RNA)
where:
Base-Base interactions energy: -143.300
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.702
local terms energy: -77.732530
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -218.925207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.925207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925207 (E_RNA)
where:
Base-Base interactions energy: -139.677
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.317
local terms energy: -78.931687
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -213.626907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.626907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.626907 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -61.218
Base-Backbone interact. energy: -1.577
local terms energy: -78.242514
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -109.513608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.513608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.513608 (E_RNA)
where:
Base-Base interactions energy: -52.015
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.064
local terms energy: -57.434373
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -109.646706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.646706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.646706 (E_RNA)
where:
Base-Base interactions energy: -49.599
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.147
local terms energy: -59.900582
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -91.471534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.471534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.471534 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -23.075
Base-Backbone interact. energy: -0.246
local terms energy: -57.871766
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -89.726686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.726686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.726686 (E_RNA)
where:
Base-Base interactions energy: -37.314
where: short stacking energy: -37.292
Base-Backbone interact. energy: -0.150
local terms energy: -52.263115
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -82.821521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.821521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.821521 (E_RNA)
where:
Base-Base interactions energy: -27.868
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.235
local terms energy: -54.718800
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -75.731152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.731152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.731152 (E_RNA)
where:
Base-Base interactions energy: -31.408
where: short stacking energy: -15.036
Base-Backbone interact. energy: -0.048
local terms energy: -44.275261
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: 1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -225.214744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.214744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.214744 (E_RNA)
where:
Base-Base interactions energy: -142.124
where: short stacking energy: -68.948
Base-Backbone interact. energy: -0.279
local terms energy: -82.811023
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -215.961465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.961465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.961465 (E_RNA)
where:
Base-Base interactions energy: -139.798
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.243
local terms energy: -75.920682
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -23.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -220.374132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.374132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.374132 (E_RNA)
where:
Base-Base interactions energy: -148.141
where: short stacking energy: -71.923
Base-Backbone interact. energy: -0.003
local terms energy: -72.229237
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -193.939298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.939298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.939298 (E_RNA)
where:
Base-Base interactions energy: -122.847
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.374
local terms energy: -70.717982
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -116.269403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.269403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.269403 (E_RNA)
where:
Base-Base interactions energy: -55.524
where: short stacking energy: -41.630
Base-Backbone interact. energy: -0.140
local terms energy: -60.605820
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -107.051753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.051753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.051753 (E_RNA)
where:
Base-Base interactions energy: -45.840
where: short stacking energy: -44.143
Base-Backbone interact. energy: -0.030
local terms energy: -61.182416
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -88.662692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.662692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.662692 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -36.803
Base-Backbone interact. energy: -0.266
local terms energy: -50.352298
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -80.786568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.786568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.786568 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -25.690
Base-Backbone interact. energy: 0.504
local terms energy: -48.471346
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -79.950970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950970 (E_RNA)
where:
Base-Base interactions energy: -29.910
where: short stacking energy: -25.537
Base-Backbone interact. energy: -0.119
local terms energy: -49.922043
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -81.897765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897765 (E_RNA)
where:
Base-Base interactions energy: -35.831
where: short stacking energy: -28.639
Base-Backbone interact. energy: 1.263
local terms energy: -47.329867
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -226.139372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139372 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.069
local terms energy: -76.713387
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -222.365690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.365690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.365690 (E_RNA)
where:
Base-Base interactions energy: -143.211
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.002
local terms energy: -79.153022
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -207.159673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159673 (E_RNA)
where:
Base-Base interactions energy: -132.339
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.507
local terms energy: -74.313791
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -192.792488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.792488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.792488 (E_RNA)
where:
Base-Base interactions energy: -115.515
where: short stacking energy: -49.560
Base-Backbone interact. energy: -0.461
local terms energy: -76.815952
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -112.992958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.992958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.992958 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -43.444
Base-Backbone interact. energy: -2.832
local terms energy: -60.051822
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -99.242289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.242289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.242289 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.287
local terms energy: -62.564959
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -92.130062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.130062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.130062 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -29.461
Base-Backbone interact. energy: -0.583
local terms energy: -55.364048
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -81.350812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350812 (E_RNA)
where:
Base-Base interactions energy: -29.020
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.041
local terms energy: -52.290445
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -80.639071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.639071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.639071 (E_RNA)
where:
Base-Base interactions energy: -26.526
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.209
local terms energy: -53.903456
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -72.899361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.899361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.899361 (E_RNA)
where:
Base-Base interactions energy: -23.305
where: short stacking energy: -23.305
Base-Backbone interact. energy: -0.240
local terms energy: -49.354507
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -217.816651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.816651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.816651 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.378
local terms energy: -78.495233
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -224.463965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.463965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.463965 (E_RNA)
where:
Base-Base interactions energy: -143.136
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.005
local terms energy: -81.323022
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -218.966351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.966351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.966351 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -52.462
Base-Backbone interact. energy: -0.403
local terms energy: -76.935278
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -210.761770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.761770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.761770 (E_RNA)
where:
Base-Base interactions energy: -139.947
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.113
local terms energy: -70.701254
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -113.304945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.304945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.304945 (E_RNA)
where:
Base-Base interactions energy: -51.827
where: short stacking energy: -47.884
Base-Backbone interact. energy: -3.238
local terms energy: -58.239773
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -104.935028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.935028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.935028 (E_RNA)
where:
Base-Base interactions energy: -47.073
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.156
local terms energy: -57.705737
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -96.892159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.892159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.892159 (E_RNA)
where:
Base-Base interactions energy: -36.767
where: short stacking energy: -34.827
Base-Backbone interact. energy: -0.107
local terms energy: -60.018474
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -87.102350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102350 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.060
local terms energy: -46.675521
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -88.792435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792435 (E_RNA)
where:
Base-Base interactions energy: -38.672
where: short stacking energy: -26.571
Base-Backbone interact. energy: 0.172
local terms energy: -50.292905
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -77.192837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.192837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.192837 (E_RNA)
where:
Base-Base interactions energy: -30.630
where: short stacking energy: -25.084
Base-Backbone interact. energy: 0.002
local terms energy: -46.564656
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -223.738892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.738892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.738892 (E_RNA)
where:
Base-Base interactions energy: -141.232
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.002
local terms energy: -82.504858
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -215.107406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.107406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.107406 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.690
local terms energy: -68.899430
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -212.312650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.312650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.312650 (E_RNA)
where:
Base-Base interactions energy: -137.898
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.013
local terms energy: -74.402121
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -196.368141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.368141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.368141 (E_RNA)
where:
Base-Base interactions energy: -123.110
where: short stacking energy: -60.202
Base-Backbone interact. energy: -0.393
local terms energy: -72.865654
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -105.778319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.778319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.778319 (E_RNA)
where:
Base-Base interactions energy: -43.519
where: short stacking energy: -32.182
Base-Backbone interact. energy: -0.125
local terms energy: -62.134730
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -108.592448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.592448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.592448 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -30.065
Base-Backbone interact. energy: 0.295
local terms energy: -64.003377
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -103.023492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.023492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.023492 (E_RNA)
where:
Base-Base interactions energy: -44.392
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.031
local terms energy: -58.600983
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -106.677991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.677991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.677991 (E_RNA)
where:
Base-Base interactions energy: -46.632
where: short stacking energy: -42.253
Base-Backbone interact. energy: -0.056
local terms energy: -59.989830
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -83.875563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.875563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.875563 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -28.270
Base-Backbone interact. energy: -0.155
local terms energy: -55.451232
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -95.582868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.582868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.582868 (E_RNA)
where:
Base-Base interactions energy: -37.713
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.044
local terms energy: -57.825552
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -227.994336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.994336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.994336 (E_RNA)
where:
Base-Base interactions energy: -145.772
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.000
local terms energy: -82.221817
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -213.841207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.841207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.841207 (E_RNA)
where:
Base-Base interactions energy: -129.366
where: short stacking energy: -63.642
Base-Backbone interact. energy: -0.025
local terms energy: -84.450613
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -204.812882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.812882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.812882 (E_RNA)
where:
Base-Base interactions energy: -124.965
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.141
local terms energy: -79.706912
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -199.538652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.538652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.538652 (E_RNA)
where:
Base-Base interactions energy: -133.556
where: short stacking energy: -58.542
Base-Backbone interact. energy: 0.459
local terms energy: -66.442006
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -99.923964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.923964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.923964 (E_RNA)
where:
Base-Base interactions energy: -43.926
where: short stacking energy: -33.192
Base-Backbone interact. energy: -0.093
local terms energy: -55.905131
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -93.373562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.373562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.373562 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -36.102
Base-Backbone interact. energy: -0.232
local terms energy: -56.992927
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -89.775091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775091 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -31.273
Base-Backbone interact. energy: -0.184
local terms energy: -47.710870
where:
bonds (distance) C4'-P energy: -7.319
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -87.604942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604942 (E_RNA)
where:
Base-Base interactions energy: -41.849
where: short stacking energy: -31.931
Base-Backbone interact. energy: -0.298
local terms energy: -45.457117
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -91.289103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.289103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.289103 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.344
local terms energy: -55.755202
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -82.750934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750934 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.051
local terms energy: -49.007833
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -227.343659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.343659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.343659 (E_RNA)
where:
Base-Base interactions energy: -143.911
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.424
local terms energy: -83.008367
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -217.083423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.083423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.083423 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.006
local terms energy: -79.895330
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -206.711769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.711769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.711769 (E_RNA)
where:
Base-Base interactions energy: -128.427
where: short stacking energy: -57.091
Base-Backbone interact. energy: -1.012
local terms energy: -77.273622
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -210.510062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.510062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.510062 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.160
local terms energy: -71.031886
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -117.371960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.371960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.371960 (E_RNA)
where:
Base-Base interactions energy: -52.715
where: short stacking energy: -37.093
Base-Backbone interact. energy: 0.235
local terms energy: -64.891899
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -101.530106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.530106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.530106 (E_RNA)
where:
Base-Base interactions energy: -43.534
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.041
local terms energy: -57.954935
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -91.439428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.439428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.439428 (E_RNA)
where:
Base-Base interactions energy: -39.200
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.114
local terms energy: -52.125326
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -101.054332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.054332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.054332 (E_RNA)
where:
Base-Base interactions energy: -49.286
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.525
local terms energy: -51.243061
where:
bonds (distance) C4'-P energy: -5.870
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -79.742128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.742128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.742128 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -11.886
Base-Backbone interact. energy: -0.200
local terms energy: -48.590076
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -96.774707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.774707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.774707 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -23.548
Base-Backbone interact. energy: -0.267
local terms energy: -53.120059
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -219.702661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.702661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.702661 (E_RNA)
where:
Base-Base interactions energy: -140.810
where: short stacking energy: -66.974
Base-Backbone interact. energy: 1.178
local terms energy: -80.070059
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -224.912237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.912237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.912237 (E_RNA)
where:
Base-Base interactions energy: -145.580
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.001
local terms energy: -79.331203
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -217.210000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.210000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.210000 (E_RNA)
where:
Base-Base interactions energy: -139.579
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.033
local terms energy: -77.597359
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -203.949570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.949570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.949570 (E_RNA)
where:
Base-Base interactions energy: -126.263
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.066
local terms energy: -77.621196
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -106.972953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.972953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.972953 (E_RNA)
where:
Base-Base interactions energy: -42.177
where: short stacking energy: -43.138
Base-Backbone interact. energy: -0.093
local terms energy: -64.702121
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -107.690028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.690028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.690028 (E_RNA)
where:
Base-Base interactions energy: -48.708
where: short stacking energy: -38.882
Base-Backbone interact. energy: -0.300
local terms energy: -58.682770
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -93.990156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.990156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.990156 (E_RNA)
where:
Base-Base interactions energy: -37.826
where: short stacking energy: -37.826
Base-Backbone interact. energy: -0.150
local terms energy: -56.014609
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -114.246109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.246109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.246109 (E_RNA)
where:
Base-Base interactions energy: -49.104
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.267
local terms energy: -64.875085
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -91.056343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.056343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.056343 (E_RNA)
where:
Base-Base interactions energy: -44.587
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.468
local terms energy: -46.001829
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -88.428443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.428443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.428443 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.159
local terms energy: -51.453102
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -218.810737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.810737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810737 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -62.124
Base-Backbone interact. energy: -1.223
local terms energy: -77.381799
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -215.914578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.914578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.914578 (E_RNA)
where:
Base-Base interactions energy: -140.691
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.014
local terms energy: -75.209858
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -223.012241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.012241 (E_RNA)
where:
Base-Base interactions energy: -143.304
where: short stacking energy: -64.856
Base-Backbone interact. energy: -0.435
local terms energy: -79.273104
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -205.573271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.573271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.573271 (E_RNA)
where:
Base-Base interactions energy: -120.995
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.596
local terms energy: -83.982367
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -111.406645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.406645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.406645 (E_RNA)
where:
Base-Base interactions energy: -54.812
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.101
local terms energy: -56.493353
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -107.463010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.463010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.463010 (E_RNA)
where:
Base-Base interactions energy: -53.309
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.280
local terms energy: -53.874988
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -94.147011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.147011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.147011 (E_RNA)
where:
Base-Base interactions energy: -39.940
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.087
local terms energy: -54.120535
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -94.232969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.232969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.232969 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -37.630
Base-Backbone interact. energy: -0.048
local terms energy: -52.199045
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -86.019946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019946 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.267
local terms energy: -54.657109
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -85.608343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.608343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.608343 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -26.115
Base-Backbone interact. energy: -0.175
local terms energy: -56.835199
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -215.193433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.193433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.193433 (E_RNA)
where:
Base-Base interactions energy: -136.079
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.092
local terms energy: -79.022200
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -219.385766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.385766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.385766 (E_RNA)
where:
Base-Base interactions energy: -143.310
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.628
local terms energy: -75.448381
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -211.002873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.002873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.002873 (E_RNA)
where:
Base-Base interactions energy: -134.830
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.380
local terms energy: -75.792719
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -215.612860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612860 (E_RNA)
where:
Base-Base interactions energy: -144.108
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.009
local terms energy: -71.495871
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -115.355528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.355528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.355528 (E_RNA)
where:
Base-Base interactions energy: -61.377
where: short stacking energy: -27.611
Base-Backbone interact. energy: -0.194
local terms energy: -53.784545
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -1.552
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -94.115457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.115457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.115457 (E_RNA)
where:
Base-Base interactions energy: -37.094
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.229
local terms energy: -56.792791
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -100.248394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.248394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.248394 (E_RNA)
where:
Base-Base interactions energy: -33.279
where: short stacking energy: -31.334
Base-Backbone interact. energy: -0.001
local terms energy: -66.968719
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -111.091439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.091439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.091439 (E_RNA)
where:
Base-Base interactions energy: -46.199
where: short stacking energy: -41.090
Base-Backbone interact. energy: -0.826
local terms energy: -64.066549
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -84.628602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.628602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.628602 (E_RNA)
where:
Base-Base interactions energy: -23.139
where: short stacking energy: -21.619
Base-Backbone interact. energy: -0.393
local terms energy: -61.096650
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -82.099101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.099101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.099101 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -33.510
Base-Backbone interact. energy: 1.182
local terms energy: -49.771171
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -216.272747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.272747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.272747 (E_RNA)
where:
Base-Base interactions energy: -133.851
where: short stacking energy: -63.461
Base-Backbone interact. energy: -0.001
local terms energy: -82.420861
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -220.527303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.527303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.527303 (E_RNA)
where:
Base-Base interactions energy: -137.356
where: short stacking energy: -61.993
Base-Backbone interact. energy: -0.354
local terms energy: -82.817696
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -209.723939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.723939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.723939 (E_RNA)
where:
Base-Base interactions energy: -139.618
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.465
local terms energy: -69.641657
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -211.203557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.203557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.203557 (E_RNA)
where:
Base-Base interactions energy: -134.160
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.009
local terms energy: -77.035420
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -100.867483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.867483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.867483 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -37.102
Base-Backbone interact. energy: -0.017
local terms energy: -58.250135
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -108.121247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.121247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.121247 (E_RNA)
where:
Base-Base interactions energy: -48.565
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.038
local terms energy: -59.517844
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -91.742125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.742125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.742125 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.410
local terms energy: -53.653958
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -89.710851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.710851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.710851 (E_RNA)
where:
Base-Base interactions energy: -33.428
where: short stacking energy: -33.428
Base-Backbone interact. energy: 0.097
local terms energy: -56.380236
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -86.108212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.108212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.108212 (E_RNA)
where:
Base-Base interactions energy: -31.168
where: short stacking energy: -26.263
Base-Backbone interact. energy: -0.141
local terms energy: -54.798994
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -81.087804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087804 (E_RNA)
where:
Base-Base interactions energy: -31.896
where: short stacking energy: -23.151
Base-Backbone interact. energy: -0.021
local terms energy: -49.170228
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -215.894694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.894694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.894694 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.034
local terms energy: -75.452892
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -206.204671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.204671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.204671 (E_RNA)
where:
Base-Base interactions energy: -129.728
where: short stacking energy: -64.235
Base-Backbone interact. energy: -0.255
local terms energy: -76.221269
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -223.417384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.417384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.417384 (E_RNA)
where:
Base-Base interactions energy: -147.943
where: short stacking energy: -71.603
Base-Backbone interact. energy: -0.089
local terms energy: -75.385836
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -187.558024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.558024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.558024 (E_RNA)
where:
Base-Base interactions energy: -127.494
where: short stacking energy: -60.369
Base-Backbone interact. energy: -0.216
local terms energy: -59.848723
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -118.319448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.319448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.319448 (E_RNA)
where:
Base-Base interactions energy: -53.142
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.102
local terms energy: -65.075201
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -103.323795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.323795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.323795 (E_RNA)
where:
Base-Base interactions energy: -32.919
where: short stacking energy: -31.547
Base-Backbone interact. energy: -0.025
local terms energy: -70.379611
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -91.822941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.822941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.822941 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.019
local terms energy: -63.016178
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -87.834899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.834899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.834899 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -31.843
Base-Backbone interact. energy: 0.821
local terms energy: -56.135625
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -81.654015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654015 (E_RNA)
where:
Base-Base interactions energy: -23.909
where: short stacking energy: -22.367
Base-Backbone interact. energy: -1.034
local terms energy: -56.711194
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -84.022686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022686 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.193
local terms energy: -51.530345
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -212.788717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.788717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.788717 (E_RNA)
where:
Base-Base interactions energy: -138.197
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.003
local terms energy: -74.588000
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -218.870368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.870368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.870368 (E_RNA)
where:
Base-Base interactions energy: -142.243
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.164
local terms energy: -76.462495
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -210.127745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.127745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.127745 (E_RNA)
where:
Base-Base interactions energy: -127.616
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.274
local terms energy: -82.237025
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -198.381730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.381730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.381730 (E_RNA)
where:
Base-Base interactions energy: -123.788
where: short stacking energy: -65.163
Base-Backbone interact. energy: 0.079
local terms energy: -74.673401
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -120.806495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.806495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.806495 (E_RNA)
where:
Base-Base interactions energy: -58.229
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.853
local terms energy: -61.724135
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -102.400205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.400205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.400205 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -39.860
Base-Backbone interact. energy: -0.417
local terms energy: -58.055301
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -95.919320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.919320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.919320 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -28.822
Base-Backbone interact. energy: -1.124
local terms energy: -59.250404
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -93.719359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.719359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.719359 (E_RNA)
where:
Base-Base interactions energy: -42.594
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.181
local terms energy: -50.944193
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: 2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -84.572871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.572871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.572871 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -27.649
Base-Backbone interact. energy: -0.218
local terms energy: -50.176555
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -88.663203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663203 (E_RNA)
where:
Base-Base interactions energy: -34.053
where: short stacking energy: -27.149
Base-Backbone interact. energy: 0.485
local terms energy: -55.095407
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -229.348914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.348914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.348914 (E_RNA)
where:
Base-Base interactions energy: -144.237
where: short stacking energy: -69.300
Base-Backbone interact. energy: -0.192
local terms energy: -84.920168
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -219.510927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.510927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.510927 (E_RNA)
where:
Base-Base interactions energy: -140.265
where: short stacking energy: -67.310
Base-Backbone interact. energy: -0.226
local terms energy: -79.019344
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -219.895919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.895919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895919 (E_RNA)
where:
Base-Base interactions energy: -137.178
where: short stacking energy: -53.780
Base-Backbone interact. energy: -1.450
local terms energy: -81.267350
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -200.917499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.917499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.917499 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.017
local terms energy: -74.270157
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -116.222750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.222750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.222750 (E_RNA)
where:
Base-Base interactions energy: -50.113
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.357
local terms energy: -65.752334
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -106.607229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.607229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.607229 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.004
local terms energy: -65.282463
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -117.000103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.000103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.000103 (E_RNA)
where:
Base-Base interactions energy: -56.965
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.091
local terms energy: -59.944699
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -95.657597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657597 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -30.437
Base-Backbone interact. energy: 1.139
local terms energy: -65.164306
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -79.684223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.684223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.684223 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -24.572
Base-Backbone interact. energy: -0.394
local terms energy: -53.646351
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -79.397530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397530 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -21.391
Base-Backbone interact. energy: 1.519
local terms energy: -44.839108
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -6.990
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -226.324016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.324016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.324016 (E_RNA)
where:
Base-Base interactions energy: -148.751
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.005
local terms energy: -77.568183
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -218.571644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.571644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.571644 (E_RNA)
where:
Base-Base interactions energy: -138.839
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.003
local terms energy: -79.729734
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -200.974352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.974352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.974352 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -52.715
Base-Backbone interact. energy: -0.943
local terms energy: -73.575825
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -199.964895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.964895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.964895 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.021
local terms energy: -74.068969
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -111.047375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.047375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.047375 (E_RNA)
where:
Base-Base interactions energy: -50.367
where: short stacking energy: -36.622
Base-Backbone interact. energy: -0.029
local terms energy: -60.651217
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -109.853378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.853378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.853378 (E_RNA)
where:
Base-Base interactions energy: -53.307
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.077
local terms energy: -56.469531
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -94.186672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186672 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.061
local terms energy: -55.858329
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -91.675434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.675434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.675434 (E_RNA)
where:
Base-Base interactions energy: -40.091
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.183
local terms energy: -51.401649
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -96.848781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.848781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.848781 (E_RNA)
where:
Base-Base interactions energy: -38.285
where: short stacking energy: -35.607
Base-Backbone interact. energy: -0.354
local terms energy: -58.209651
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -86.129793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129793 (E_RNA)
where:
Base-Base interactions energy: -28.808
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.057
local terms energy: -57.265041
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -225.583235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.583235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.583235 (E_RNA)
where:
Base-Base interactions energy: -142.561
where: short stacking energy: -73.268
Base-Backbone interact. energy: 0.001
local terms energy: -83.023460
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -214.385035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.385035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.385035 (E_RNA)
where:
Base-Base interactions energy: -140.687
where: short stacking energy: -56.024
Base-Backbone interact. energy: 0.260
local terms energy: -73.957266
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -207.000383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.000383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.000383 (E_RNA)
where:
Base-Base interactions energy: -132.428
where: short stacking energy: -59.354
Base-Backbone interact. energy: 1.104
local terms energy: -75.676001
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -168.680781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.680781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.680781 (E_RNA)
where:
Base-Base interactions energy: -94.600
where: short stacking energy: -48.753
Base-Backbone interact. energy: -0.058
local terms energy: -74.022520
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -111.941785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.941785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.941785 (E_RNA)
where:
Base-Base interactions energy: -47.735
where: short stacking energy: -44.874
Base-Backbone interact. energy: -0.093
local terms energy: -64.113281
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -97.950109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.950109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.950109 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.234
local terms energy: -60.375166
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -97.862559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.862559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.862559 (E_RNA)
where:
Base-Base interactions energy: -41.441
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.125
local terms energy: -56.297137
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -83.116994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116994 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.092
local terms energy: -47.977656
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: 2.747
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -85.885351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885351 (E_RNA)
where:
Base-Base interactions energy: -27.532
where: short stacking energy: -27.532
Base-Backbone interact. energy: -0.126
local terms energy: -58.227318
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -72.853674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.853674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.853674 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.126
local terms energy: -41.052011
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -0.718
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -220.304719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.304719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.304719 (E_RNA)
where:
Base-Base interactions energy: -138.587
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.001
local terms energy: -81.716538
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -219.598314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.598314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.598314 (E_RNA)
where:
Base-Base interactions energy: -148.442
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.066
local terms energy: -71.089757
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -211.132845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.132845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.132845 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.004
local terms energy: -77.068097
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -188.749710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.749710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.749710 (E_RNA)
where:
Base-Base interactions energy: -117.513
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.787
local terms energy: -70.449112
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -95.002549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.002549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.002549 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.153
local terms energy: -64.500827
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -100.278637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278637 (E_RNA)
where:
Base-Base interactions energy: -42.878
where: short stacking energy: -32.502
Base-Backbone interact. energy: -0.043
local terms energy: -57.358048
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -101.103647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.103647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.103647 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.187
local terms energy: -62.514512
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -87.448788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448788 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.294
local terms energy: -50.159597
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -79.553958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.553958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.553958 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -25.795
Base-Backbone interact. energy: -0.252
local terms energy: -48.339114
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -78.807854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.807854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.807854 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -18.914
Base-Backbone interact. energy: -0.107
local terms energy: -42.656796
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -226.816445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.816445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.816445 (E_RNA)
where:
Base-Base interactions energy: -141.402
where: short stacking energy: -65.551
Base-Backbone interact. energy: 0.103
local terms energy: -85.517920
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -219.388595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.388595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.388595 (E_RNA)
where:
Base-Base interactions energy: -138.057
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.004
local terms energy: -81.327285
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -222.777268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.777268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.777268 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.006
local terms energy: -76.841887
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -177.227210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.227210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.227210 (E_RNA)
where:
Base-Base interactions energy: -106.019
where: short stacking energy: -48.348
Base-Backbone interact. energy: -0.086
local terms energy: -71.122143
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -117.857642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.857642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.857642 (E_RNA)
where:
Base-Base interactions energy: -55.995
where: short stacking energy: -46.243
Base-Backbone interact. energy: -0.307
local terms energy: -61.554733
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -96.330007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.330007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.330007 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -28.929
Base-Backbone interact. energy: -1.144
local terms energy: -61.828380
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -95.492661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492661 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.174
local terms energy: -45.416772
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -89.323385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.323385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.323385 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.004
local terms energy: -59.476225
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -105.758769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.758769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.758769 (E_RNA)
where:
Base-Base interactions energy: -47.898
where: short stacking energy: -28.241
Base-Backbone interact. energy: -1.500
local terms energy: -56.360736
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -73.679246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.679246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.679246 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -24.500
Base-Backbone interact. energy: -0.168
local terms energy: -37.076923
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: 3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -229.025688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.025688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.025688 (E_RNA)
where:
Base-Base interactions energy: -144.011
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.004
local terms energy: -85.010408
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -211.184389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.184389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.184389 (E_RNA)
where:
Base-Base interactions energy: -127.571
where: short stacking energy: -55.621
Base-Backbone interact. energy: -1.381
local terms energy: -82.233099
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -204.659217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.659217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.659217 (E_RNA)
where:
Base-Base interactions energy: -128.496
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.019
local terms energy: -76.144237
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -154.991683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.991683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.991683 (E_RNA)
where:
Base-Base interactions energy: -96.646
where: short stacking energy: -49.160
Base-Backbone interact. energy: -0.082
local terms energy: -58.263874
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -109.155167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.155167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.155167 (E_RNA)
where:
Base-Base interactions energy: -52.943
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.157
local terms energy: -56.055722
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: 1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -95.507193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.507193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.507193 (E_RNA)
where:
Base-Base interactions energy: -44.729
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.129
local terms energy: -50.649402
where:
bonds (distance) C4'-P energy: -4.348
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -99.799357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.799357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.799357 (E_RNA)
where:
Base-Base interactions energy: -38.108
where: short stacking energy: -36.442
Base-Backbone interact. energy: -0.316
local terms energy: -61.375356
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -97.154526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.154526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.154526 (E_RNA)
where:
Base-Base interactions energy: -43.195
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.164
local terms energy: -53.795894
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -78.608686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.608686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.608686 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -20.000
Base-Backbone interact. energy: 0.030
local terms energy: -52.748389
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -73.475000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.475000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.475000 (E_RNA)
where:
Base-Base interactions energy: -22.968
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.699
local terms energy: -49.807564
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: 0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -229.361453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.361453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.361453 (E_RNA)
where:
Base-Base interactions energy: -149.364
where: short stacking energy: -71.883
Base-Backbone interact. energy: -0.622
local terms energy: -79.375400
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -221.310191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.310191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.310191 (E_RNA)
where:
Base-Base interactions energy: -136.993
where: short stacking energy: -61.806
Base-Backbone interact. energy: 1.017
local terms energy: -85.334233
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -176.245219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.245219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.245219 (E_RNA)
where:
Base-Base interactions energy: -106.505
where: short stacking energy: -46.230
Base-Backbone interact. energy: 0.447
local terms energy: -70.187165
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -188.063993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.063993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.063993 (E_RNA)
where:
Base-Base interactions energy: -127.870
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.362
local terms energy: -59.831691
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -111.295852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.295852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.295852 (E_RNA)
where:
Base-Base interactions energy: -52.372
where: short stacking energy: -40.578
Base-Backbone interact. energy: 0.075
local terms energy: -58.998490
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -92.532458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.532458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.532458 (E_RNA)
where:
Base-Base interactions energy: -47.450
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.118
local terms energy: -44.964099
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -93.043060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.043060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.043060 (E_RNA)
where:
Base-Base interactions energy: -35.772
where: short stacking energy: -29.260
Base-Backbone interact. energy: -0.443
local terms energy: -56.828132
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -99.167749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.167749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.167749 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -33.199
Base-Backbone interact. energy: -0.101
local terms energy: -65.867524
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -78.297894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.297894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.297894 (E_RNA)
where:
Base-Base interactions energy: -31.022
where: short stacking energy: -31.022
Base-Backbone interact. energy: -0.080
local terms energy: -47.195916
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -6.571
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -81.187943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.187943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.187943 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.823
local terms energy: -50.830572
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -228.435289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.435289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.435289 (E_RNA)
where:
Base-Base interactions energy: -146.434
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.034
local terms energy: -81.967388
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -195.148046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.148046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.148046 (E_RNA)
where:
Base-Base interactions energy: -124.468
where: short stacking energy: -51.607
Base-Backbone interact. energy: -0.406
local terms energy: -70.274295
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -215.162849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.162849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.162849 (E_RNA)
where:
Base-Base interactions energy: -137.539
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.017
local terms energy: -77.606856
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -203.240087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.240087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.240087 (E_RNA)
where:
Base-Base interactions energy: -128.921
where: short stacking energy: -64.891
Base-Backbone interact. energy: -0.475
local terms energy: -73.843973
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -23.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -107.996812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.996812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.996812 (E_RNA)
where:
Base-Base interactions energy: -49.497
where: short stacking energy: -41.656
Base-Backbone interact. energy: -0.085
local terms energy: -58.415216
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -101.358708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.358708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.358708 (E_RNA)
where:
Base-Base interactions energy: -43.016
where: short stacking energy: -31.535
Base-Backbone interact. energy: 0.948
local terms energy: -59.291353
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -111.636759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.636759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.636759 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -36.024
Base-Backbone interact. energy: -2.217
local terms energy: -48.281638
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -91.327576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.327576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.327576 (E_RNA)
where:
Base-Base interactions energy: -38.729
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.105
local terms energy: -52.493068
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -1.692
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -85.169647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169647 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.203
local terms energy: -55.827828
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.390825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390825 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -31.055
Base-Backbone interact. energy: -1.083
local terms energy: -46.738135
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -0.265
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -227.716160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.716160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.716160 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.280
local terms energy: -78.006924
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -214.954743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954743 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.081
local terms energy: -75.007399
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -214.988687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988687 (E_RNA)
where:
Base-Base interactions energy: -140.829
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.736
local terms energy: -73.424022
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -204.256695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.256695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.256695 (E_RNA)
where:
Base-Base interactions energy: -135.904
where: short stacking energy: -58.825
Base-Backbone interact. energy: -0.258
local terms energy: -68.094910
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -126.370083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.370083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.370083 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -40.280
Base-Backbone interact. energy: -0.428
local terms energy: -68.598184
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -105.473956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.473956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.473956 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -42.803
Base-Backbone interact. energy: -0.221
local terms energy: -62.450171
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -93.385883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.385883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.385883 (E_RNA)
where:
Base-Base interactions energy: -40.062
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.640
local terms energy: -52.684233
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -82.100988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.100988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.100988 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -26.245
Base-Backbone interact. energy: -0.046
local terms energy: -51.440886
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -78.889253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.889253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.889253 (E_RNA)
where:
Base-Base interactions energy: -23.237
where: short stacking energy: -18.915
Base-Backbone interact. energy: -0.022
local terms energy: -55.629816
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: 2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -79.966728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.966728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.966728 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -25.993
Base-Backbone interact. energy: -0.378
local terms energy: -48.640696
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -219.126057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126057 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -61.096
Base-Backbone interact. energy: 0.812
local terms energy: -84.558224
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -212.583560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.583560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.583560 (E_RNA)
where:
Base-Base interactions energy: -139.237
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.512
local terms energy: -72.834803
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -208.249371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.249371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.249371 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.113
local terms energy: -75.949922
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -217.101906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.101906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.101906 (E_RNA)
where:
Base-Base interactions energy: -141.908
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.001
local terms energy: -75.192487
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -123.399404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.399404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.399404 (E_RNA)
where:
Base-Base interactions energy: -52.476
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.337
local terms energy: -70.585932
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -96.253010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.253010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.253010 (E_RNA)
where:
Base-Base interactions energy: -47.806
where: short stacking energy: -23.424
Base-Backbone interact. energy: -0.156
local terms energy: -48.290710
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -103.902941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.902941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.902941 (E_RNA)
where:
Base-Base interactions energy: -41.559
where: short stacking energy: -37.361
Base-Backbone interact. energy: -0.181
local terms energy: -62.162607
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -97.581139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581139 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.108
local terms energy: -59.857953
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -81.039716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.039716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.039716 (E_RNA)
where:
Base-Base interactions energy: -25.704
where: short stacking energy: -25.704
Base-Backbone interact. energy: -1.124
local terms energy: -54.210929
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -81.015121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.015121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.015121 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.170
local terms energy: -53.711366
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -226.092517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.092517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.092517 (E_RNA)
where:
Base-Base interactions energy: -144.542
where: short stacking energy: -68.548
Base-Backbone interact. energy: -1.121
local terms energy: -80.430463
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -224.513938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.513938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.513938 (E_RNA)
where:
Base-Base interactions energy: -146.278
where: short stacking energy: -63.176
Base-Backbone interact. energy: -0.001
local terms energy: -78.235317
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -218.665218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.665218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.665218 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.281
local terms energy: -77.732418
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -193.832897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832897 (E_RNA)
where:
Base-Base interactions energy: -123.593
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.002
local terms energy: -70.237688
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -121.890253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.890253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.890253 (E_RNA)
where:
Base-Base interactions energy: -53.884
where: short stacking energy: -53.884
Base-Backbone interact. energy: -0.813
local terms energy: -67.193357
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -115.921026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.921026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.921026 (E_RNA)
where:
Base-Base interactions energy: -48.782
where: short stacking energy: -40.160
Base-Backbone interact. energy: -0.087
local terms energy: -67.051970
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -100.208615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.208615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.208615 (E_RNA)
where:
Base-Base interactions energy: -41.722
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.094
local terms energy: -58.392302
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -95.952961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.952961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.952961 (E_RNA)
where:
Base-Base interactions energy: -39.707
where: short stacking energy: -33.989
Base-Backbone interact. energy: 0.314
local terms energy: -56.559741
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -74.078246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.078246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.078246 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.134
local terms energy: -51.272345
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -81.066097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.066097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.066097 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -19.747
Base-Backbone interact. energy: -0.216
local terms energy: -50.661926
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -229.763774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.763774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.763774 (E_RNA)
where:
Base-Base interactions energy: -147.956
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.009
local terms energy: -81.798804
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -219.313148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.313148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.313148 (E_RNA)
where:
Base-Base interactions energy: -147.423
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.027
local terms energy: -71.863104
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -223.908625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.908625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.908625 (E_RNA)
where:
Base-Base interactions energy: -148.116
where: short stacking energy: -65.985
Base-Backbone interact. energy: -0.030
local terms energy: -75.762901
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -202.537054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.537054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.537054 (E_RNA)
where:
Base-Base interactions energy: -129.408
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.103
local terms energy: -73.025417
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -114.732478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.732478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.732478 (E_RNA)
where:
Base-Base interactions energy: -59.929
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.968
local terms energy: -53.835368
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -96.549607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.549607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.549607 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.016
local terms energy: -60.728981
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -92.291935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.291935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.291935 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -26.760
Base-Backbone interact. energy: -1.284
local terms energy: -52.304154
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -89.377315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.377315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.377315 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -27.652
Base-Backbone interact. energy: 0.183
local terms energy: -54.969672
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -85.209052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.209052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.209052 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.314
local terms energy: -54.982774
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -80.317411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.317411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.317411 (E_RNA)
where:
Base-Base interactions energy: -34.479
where: short stacking energy: -20.243
Base-Backbone interact. energy: -0.493
local terms energy: -45.345033
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: 5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -229.831821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.831821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.831821 (E_RNA)
where:
Base-Base interactions energy: -144.812
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.042
local terms energy: -84.978433
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -221.582068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.582068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.582068 (E_RNA)
where:
Base-Base interactions energy: -142.199
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.001
local terms energy: -79.381969
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -224.850476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.850476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.850476 (E_RNA)
where:
Base-Base interactions energy: -144.259
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.165
local terms energy: -80.426072
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -202.838290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.838290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.838290 (E_RNA)
where:
Base-Base interactions energy: -127.624
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.777
local terms energy: -74.437143
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -108.952759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.952759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.952759 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.088
local terms energy: -66.036862
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -109.140145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.140145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.140145 (E_RNA)
where:
Base-Base interactions energy: -45.672
where: short stacking energy: -35.396
Base-Backbone interact. energy: -0.294
local terms energy: -63.173970
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -82.339133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.339133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.339133 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -27.740
Base-Backbone interact. energy: -0.163
local terms energy: -54.436549
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -88.347194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.347194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.347194 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.260
local terms energy: -54.145941
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -84.589590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.589590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.589590 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.144
local terms energy: -41.138709
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -92.429229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429229 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -24.700
Base-Backbone interact. energy: -0.068
local terms energy: -44.549556
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: 1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -217.795392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.795392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.795392 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.280
local terms energy: -80.241917
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -219.877476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.877476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.877476 (E_RNA)
where:
Base-Base interactions energy: -145.885
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.367
local terms energy: -73.625601
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -221.692170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692170 (E_RNA)
where:
Base-Base interactions energy: -145.103
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.001
local terms energy: -76.588176
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -199.540323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.540323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.540323 (E_RNA)
where:
Base-Base interactions energy: -122.606
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.429
local terms energy: -76.505466
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -90.986902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.986902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.986902 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.286
local terms energy: -53.752168
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -109.318056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.318056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.318056 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.150
local terms energy: -61.942551
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -106.912376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.912376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.912376 (E_RNA)
where:
Base-Base interactions energy: -56.318
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.629
local terms energy: -49.965688
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -95.111759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.111759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.111759 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -36.590
Base-Backbone interact. energy: 1.056
local terms energy: -46.057349
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -85.160920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160920 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -36.269
Base-Backbone interact. energy: 0.043
local terms energy: -48.874146
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -78.951363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.951363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.951363 (E_RNA)
where:
Base-Base interactions energy: -34.439
where: short stacking energy: -18.702
Base-Backbone interact. energy: 0.630
local terms energy: -45.142212
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: 2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -217.117027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.117027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.117027 (E_RNA)
where:
Base-Base interactions energy: -147.078
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.008
local terms energy: -70.030584
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -213.236753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.236753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.236753 (E_RNA)
where:
Base-Base interactions energy: -137.666
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.029
local terms energy: -75.540903
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -210.988238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.988238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.988238 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.047
local terms energy: -76.199897
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -207.384965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.384965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.384965 (E_RNA)
where:
Base-Base interactions energy: -139.586
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.194
local terms energy: -67.605099
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -116.678126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.678126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.678126 (E_RNA)
where:
Base-Base interactions energy: -57.513
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.173
local terms energy: -58.992360
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -98.267992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.267992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.267992 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.240
local terms energy: -62.883355
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -98.208060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.208060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.208060 (E_RNA)
where:
Base-Base interactions energy: -39.188
where: short stacking energy: -37.763
Base-Backbone interact. energy: -0.341
local terms energy: -58.679343
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -86.739420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739420 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.329
local terms energy: -55.471875
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -80.772182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.772182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.772182 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.008
local terms energy: -48.461680
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -88.146438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146438 (E_RNA)
where:
Base-Base interactions energy: -44.547
where: short stacking energy: -28.301
Base-Backbone interact. energy: -1.226
local terms energy: -42.372450
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -1.150
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -233.907166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.907166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.907166 (E_RNA)
where:
Base-Base interactions energy: -147.164
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.290
local terms energy: -86.453491
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -221.462067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.462067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.462067 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.066
local terms energy: -79.576552
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -215.128837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.128837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.128837 (E_RNA)
where:
Base-Base interactions energy: -136.886
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.224
local terms energy: -78.018325
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -203.050422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.050422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.050422 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.150
local terms energy: -66.494385
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -100.245565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.245565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.245565 (E_RNA)
where:
Base-Base interactions energy: -45.915
where: short stacking energy: -32.546
Base-Backbone interact. energy: -0.413
local terms energy: -53.917797
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -91.397680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.397680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.397680 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.332
local terms energy: -47.814423
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -94.309727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.309727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.309727 (E_RNA)
where:
Base-Base interactions energy: -35.179
where: short stacking energy: -34.562
Base-Backbone interact. energy: -1.229
local terms energy: -57.901704
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -93.330287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330287 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -27.881
Base-Backbone interact. energy: -0.232
local terms energy: -58.289112
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -84.696963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696963 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -33.695
Base-Backbone interact. energy: -0.008
local terms energy: -45.476319
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -72.989095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.989095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.989095 (E_RNA)
where:
Base-Base interactions energy: -37.362
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.307
local terms energy: -35.319874
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -8.041
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -2.047
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -226.558141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.558141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.558141 (E_RNA)
where:
Base-Base interactions energy: -141.296
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.413
local terms energy: -84.849475
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -224.388569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.388569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.388569 (E_RNA)
where:
Base-Base interactions energy: -147.467
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.124
local terms energy: -76.798314
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -210.949870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.949870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.949870 (E_RNA)
where:
Base-Base interactions energy: -135.199
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.101
local terms energy: -75.649957
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -201.182743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.182743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182743 (E_RNA)
where:
Base-Base interactions energy: -123.826
where: short stacking energy: -63.355
Base-Backbone interact. energy: 0.948
local terms energy: -78.303959
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -119.870190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.870190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.870190 (E_RNA)
where:
Base-Base interactions energy: -51.153
where: short stacking energy: -48.067
Base-Backbone interact. energy: -0.185
local terms energy: -68.532377
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -99.117945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.117945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.117945 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -30.130
Base-Backbone interact. energy: 0.257
local terms energy: -58.006146
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: 1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -84.881772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881772 (E_RNA)
where:
Base-Base interactions energy: -39.782
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.259
local terms energy: -44.840793
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -89.666471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.666471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.666471 (E_RNA)
where:
Base-Base interactions energy: -39.819
where: short stacking energy: -30.290
Base-Backbone interact. energy: -0.184
local terms energy: -49.664089
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -88.605889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605889 (E_RNA)
where:
Base-Base interactions energy: -36.864
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.041
local terms energy: -51.700498
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -80.024522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.024522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.024522 (E_RNA)
where:
Base-Base interactions energy: -34.534
where: short stacking energy: -34.534
Base-Backbone interact. energy: -0.708
local terms energy: -44.782967
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: 2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -223.533635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.533635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.533635 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.506
local terms energy: -74.227421
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -222.049811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.049811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.049811 (E_RNA)
where:
Base-Base interactions energy: -139.875
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.156
local terms energy: -82.018485
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -212.599945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.599945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.599945 (E_RNA)
where:
Base-Base interactions energy: -133.289
where: short stacking energy: -58.097
Base-Backbone interact. energy: -0.077
local terms energy: -79.233661
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -106.523058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.523058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.523058 (E_RNA)
where:
Base-Base interactions energy: -47.221
where: short stacking energy: -45.763
Base-Backbone interact. energy: -0.216
local terms energy: -59.085755
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -196.872639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.872639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.872639 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.159
local terms energy: -70.124223
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -104.012063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.012063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.012063 (E_RNA)
where:
Base-Base interactions energy: -46.339
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.142
local terms energy: -57.531099
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -99.319794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.319794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.319794 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.694
local terms energy: -56.933113
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -95.697805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.697805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.697805 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.256
local terms energy: -58.830037
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -84.597633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597633 (E_RNA)
where:
Base-Base interactions energy: -27.746
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.247
local terms energy: -56.604378
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -74.974245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.974245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.974245 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -29.495
Base-Backbone interact. energy: -0.178
local terms energy: -42.181369
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: 0.830
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -228.464624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.464624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.464624 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -71.867
Base-Backbone interact. energy: 0.021
local terms energy: -81.367055
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -216.533936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.533936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.533936 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.743
local terms energy: -77.677648
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -213.682504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.682504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.682504 (E_RNA)
where:
Base-Base interactions energy: -133.912
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.238
local terms energy: -79.532419
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -154.215625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.215625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.215625 (E_RNA)
where:
Base-Base interactions energy: -93.788
where: short stacking energy: -45.907
Base-Backbone interact. energy: 0.065
local terms energy: -60.492736
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -191.005918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.005918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.005918 (E_RNA)
where:
Base-Base interactions energy: -124.050
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.057
local terms energy: -66.899228
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -96.379122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.379122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.379122 (E_RNA)
where:
Base-Base interactions energy: -44.588
where: short stacking energy: -38.144
Base-Backbone interact. energy: -0.342
local terms energy: -51.449588
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -115.359792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.359792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.359792 (E_RNA)
where:
Base-Base interactions energy: -54.154
where: short stacking energy: -34.796
Base-Backbone interact. energy: 0.504
local terms energy: -61.709847
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -88.272873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.272873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.272873 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.485
local terms energy: -53.418228
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -78.711540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.711540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.711540 (E_RNA)
where:
Base-Base interactions energy: -33.559
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.060
local terms energy: -45.093269
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: 3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -77.309933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.309933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.309933 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -21.634
Base-Backbone interact. energy: -0.373
local terms energy: -45.102631
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: 3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -225.675729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.675729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.675729 (E_RNA)
where:
Base-Base interactions energy: -146.632
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.130
local terms energy: -78.914241
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -210.350459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.350459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.350459 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -69.438
Base-Backbone interact. energy: -0.036
local terms energy: -74.063307
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -205.299780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.299780 (E_RNA)
where:
Base-Base interactions energy: -128.849
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.178
local terms energy: -76.272758
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -201.264097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.264097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.264097 (E_RNA)
where:
Base-Base interactions energy: -134.674
where: short stacking energy: -45.268
Base-Backbone interact. energy: -0.019
local terms energy: -66.571163
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -141.712007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.712007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.712007 (E_RNA)
where:
Base-Base interactions energy: -82.149
where: short stacking energy: -43.335
Base-Backbone interact. energy: 0.704
local terms energy: -60.266358
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -101.506945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.506945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.506945 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -30.958
Base-Backbone interact. energy: -0.045
local terms energy: -67.680990
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -117.455883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.455883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.455883 (E_RNA)
where:
Base-Base interactions energy: -58.796
where: short stacking energy: -42.252
Base-Backbone interact. energy: 0.117
local terms energy: -58.776573
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -95.733512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.733512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.733512 (E_RNA)
where:
Base-Base interactions energy: -36.077
where: short stacking energy: -34.874
Base-Backbone interact. energy: 0.076
local terms energy: -59.732210
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -80.095732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.095732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.095732 (E_RNA)
where:
Base-Base interactions energy: -27.586
where: short stacking energy: -19.872
Base-Backbone interact. energy: -0.345
local terms energy: -52.165089
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -78.675806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.675806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.675806 (E_RNA)
where:
Base-Base interactions energy: -33.447
where: short stacking energy: -28.005
Base-Backbone interact. energy: -0.175
local terms energy: -45.053854
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -224.544368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.544368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.544368 (E_RNA)
where:
Base-Base interactions energy: -138.527
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.378
local terms energy: -85.639112
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -218.238634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.238634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.238634 (E_RNA)
where:
Base-Base interactions energy: -132.304
where: short stacking energy: -66.760
Base-Backbone interact. energy: -0.035
local terms energy: -85.900182
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -208.915057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.915057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.915057 (E_RNA)
where:
Base-Base interactions energy: -130.686
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.748
local terms energy: -77.481193
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -167.120458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.120458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.120458 (E_RNA)
where:
Base-Base interactions energy: -98.790
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.134
local terms energy: -68.196303
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -102.686972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.686972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.686972 (E_RNA)
where:
Base-Base interactions energy: -44.942
where: short stacking energy: -31.865
Base-Backbone interact. energy: -1.199
local terms energy: -56.546262
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -113.312101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.312101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.312101 (E_RNA)
where:
Base-Base interactions energy: -53.477
where: short stacking energy: -36.395
Base-Backbone interact. energy: -1.255
local terms energy: -58.580670
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -91.084647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.084647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.084647 (E_RNA)
where:
Base-Base interactions energy: -37.246
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.175
local terms energy: -53.663883
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -89.160563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.160563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.160563 (E_RNA)
where:
Base-Base interactions energy: -44.873
where: short stacking energy: -38.608
Base-Backbone interact. energy: -0.051
local terms energy: -44.236431
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -88.625590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.625590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.625590 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -35.034
Base-Backbone interact. energy: -0.170
local terms energy: -52.555320
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.610731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.610731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.610731 (E_RNA)
where:
Base-Base interactions energy: -25.396
where: short stacking energy: -20.979
Base-Backbone interact. energy: 0.013
local terms energy: -47.227859
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -227.385636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.385636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.385636 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -70.902
Base-Backbone interact. energy: -0.414
local terms energy: -77.886447
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -225.030090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.030090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.030090 (E_RNA)
where:
Base-Base interactions energy: -141.494
where: short stacking energy: -72.326
Base-Backbone interact. energy: 0.124
local terms energy: -83.659343
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -213.787603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.787603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.787603 (E_RNA)
where:
Base-Base interactions energy: -128.740
where: short stacking energy: -57.485
Base-Backbone interact. energy: -0.591
local terms energy: -84.456189
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -200.078264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.078264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.078264 (E_RNA)
where:
Base-Base interactions energy: -119.526
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.083
local terms energy: -80.469381
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -105.336763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.336763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.336763 (E_RNA)
where:
Base-Base interactions energy: -43.319
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.047
local terms energy: -61.970383
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -132.093671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.093671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.093671 (E_RNA)
where:
Base-Base interactions energy: -70.543
where: short stacking energy: -50.327
Base-Backbone interact. energy: -1.614
local terms energy: -59.936622
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -99.002065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.002065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.002065 (E_RNA)
where:
Base-Base interactions energy: -41.625
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.056
local terms energy: -57.321164
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -98.176790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.176790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.176790 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -28.562
Base-Backbone interact. energy: 1.069
local terms energy: -61.236253
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -81.281645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.281645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.281645 (E_RNA)
where:
Base-Base interactions energy: -24.019
where: short stacking energy: -24.019
Base-Backbone interact. energy: -0.088
local terms energy: -57.174521
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -76.338941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338941 (E_RNA)
where:
Base-Base interactions energy: -25.942
where: short stacking energy: -20.873
Base-Backbone interact. energy: -0.512
local terms energy: -49.885612
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -223.682787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.682787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.682787 (E_RNA)
where:
Base-Base interactions energy: -137.386
where: short stacking energy: -63.697
Base-Backbone interact. energy: 0.870
local terms energy: -87.166772
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -215.370327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.370327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.370327 (E_RNA)
where:
Base-Base interactions energy: -132.904
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.592
local terms energy: -81.874307
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -206.326248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.326248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.326248 (E_RNA)
where:
Base-Base interactions energy: -130.201
where: short stacking energy: -62.789
Base-Backbone interact. energy: -0.497
local terms energy: -75.627914
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -206.208884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.208884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.208884 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.233
local terms energy: -76.400696
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -105.403786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.403786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.403786 (E_RNA)
where:
Base-Base interactions energy: -46.265
where: short stacking energy: -46.265
Base-Backbone interact. energy: -0.038
local terms energy: -59.100265
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -95.664495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.664495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.664495 (E_RNA)
where:
Base-Base interactions energy: -41.676
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.093
local terms energy: -53.895376
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -2.368
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -96.637890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.637890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.637890 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -35.734
Base-Backbone interact. energy: -1.078
local terms energy: -52.592243
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -85.789171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.789171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.789171 (E_RNA)
where:
Base-Base interactions energy: -32.840
where: short stacking energy: -27.453
Base-Backbone interact. energy: -0.335
local terms energy: -52.614140
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -76.778560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.778560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.778560 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.165
local terms energy: -44.770875
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -79.318955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.318955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.318955 (E_RNA)
where:
Base-Base interactions energy: -28.311
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.005
local terms energy: -51.002921
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -227.344551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.344551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.344551 (E_RNA)
where:
Base-Base interactions energy: -145.192
where: short stacking energy: -75.163
Base-Backbone interact. energy: -0.078
local terms energy: -82.073898
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -212.126298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.126298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.126298 (E_RNA)
where:
Base-Base interactions energy: -134.541
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.020
local terms energy: -77.565216
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -223.275778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.275778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.275778 (E_RNA)
where:
Base-Base interactions energy: -140.334
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.000
local terms energy: -82.941628
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -198.148132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.148132 (E_RNA)
where:
Base-Base interactions energy: -118.900
where: short stacking energy: -57.318
Base-Backbone interact. energy: -0.066
local terms energy: -79.181970
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -104.840979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.840979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.840979 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.082
local terms energy: -56.053280
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -94.897860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.897860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.897860 (E_RNA)
where:
Base-Base interactions energy: -47.202
where: short stacking energy: -43.064
Base-Backbone interact. energy: -0.167
local terms energy: -47.528951
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -7.309
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -111.274327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.274327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.274327 (E_RNA)
where:
Base-Base interactions energy: -52.478
where: short stacking energy: -35.057
Base-Backbone interact. energy: -0.235
local terms energy: -58.561504
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -88.653045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.653045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.653045 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -29.658
Base-Backbone interact. energy: 1.568
local terms energy: -60.065126
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -87.761585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.761585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.761585 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -36.802
Base-Backbone interact. energy: -0.041
local terms energy: -50.092814
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -79.785337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.785337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.785337 (E_RNA)
where:
Base-Base interactions energy: -30.680
where: short stacking energy: -26.332
Base-Backbone interact. energy: 0.074
local terms energy: -49.178603
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -218.315595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315595 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.021
local terms energy: -82.729367
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -216.677984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.677984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.677984 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.007
local terms energy: -80.255541
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -214.043137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043137 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.239
local terms energy: -79.805818
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -201.070657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.070657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.070657 (E_RNA)
where:
Base-Base interactions energy: -118.951
where: short stacking energy: -55.360
Base-Backbone interact. energy: -0.015
local terms energy: -82.104469
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -108.706036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.706036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.706036 (E_RNA)
where:
Base-Base interactions energy: -42.538
where: short stacking energy: -40.103
Base-Backbone interact. energy: -0.099
local terms energy: -66.068757
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -96.200643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.200643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.200643 (E_RNA)
where:
Base-Base interactions energy: -55.389
where: short stacking energy: -46.057
Base-Backbone interact. energy: -0.082
local terms energy: -40.729693
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -92.873813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873813 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -26.832
Base-Backbone interact. energy: -0.001
local terms energy: -61.237358
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -95.106218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.106218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.106218 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -29.994
Base-Backbone interact. energy: 0.698
local terms energy: -55.951834
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -78.820948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.820948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.820948 (E_RNA)
where:
Base-Base interactions energy: -31.147
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.011
local terms energy: -47.662949
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -80.797298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797298 (E_RNA)
where:
Base-Base interactions energy: -25.804
where: short stacking energy: -17.747
Base-Backbone interact. energy: -0.168
local terms energy: -54.825434
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -212.852309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.852309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.852309 (E_RNA)
where:
Base-Base interactions energy: -130.236
where: short stacking energy: -61.075
Base-Backbone interact. energy: -0.302
local terms energy: -82.314159
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -227.658643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.658643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.658643 (E_RNA)
where:
Base-Base interactions energy: -149.100
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.010
local terms energy: -78.548247
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -210.353936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.353936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.353936 (E_RNA)
where:
Base-Base interactions energy: -135.926
where: short stacking energy: -63.413
Base-Backbone interact. energy: -1.097
local terms energy: -73.331150
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -188.951944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.951944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.951944 (E_RNA)
where:
Base-Base interactions energy: -119.823
where: short stacking energy: -55.068
Base-Backbone interact. energy: -0.461
local terms energy: -68.668685
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -114.714301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.714301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.714301 (E_RNA)
where:
Base-Base interactions energy: -58.809
where: short stacking energy: -47.463
Base-Backbone interact. energy: -0.105
local terms energy: -55.800333
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -111.852179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.852179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.852179 (E_RNA)
where:
Base-Base interactions energy: -44.482
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.001
local terms energy: -67.369454
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -93.777877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.777877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.777877 (E_RNA)
where:
Base-Base interactions energy: -44.463
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.285
local terms energy: -49.029955
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -88.954967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954967 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.010
local terms energy: -56.907157
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -84.547754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.547754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.547754 (E_RNA)
where:
Base-Base interactions energy: -34.033
where: short stacking energy: -34.033
Base-Backbone interact. energy: -0.058
local terms energy: -50.456494
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -76.351632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351632 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -18.614
Base-Backbone interact. energy: -0.082
local terms energy: -47.650539
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -225.383636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.383636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.383636 (E_RNA)
where:
Base-Base interactions energy: -141.106
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.156
local terms energy: -84.120844
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -213.516621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.516621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.516621 (E_RNA)
where:
Base-Base interactions energy: -134.848
where: short stacking energy: -61.775
Base-Backbone interact. energy: -0.062
local terms energy: -78.606423
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -215.326680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.326680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.326680 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.288
local terms energy: -79.828615
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -197.793361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.793361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.793361 (E_RNA)
where:
Base-Base interactions energy: -120.921
where: short stacking energy: -48.105
Base-Backbone interact. energy: -0.779
local terms energy: -76.093065
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -102.747227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747227 (E_RNA)
where:
Base-Base interactions energy: -42.882
where: short stacking energy: -40.747
Base-Backbone interact. energy: -1.706
local terms energy: -58.158655
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -94.666122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.666122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.666122 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.111
local terms energy: -63.326188
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -94.458406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.458406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.458406 (E_RNA)
where:
Base-Base interactions energy: -47.039
where: short stacking energy: -39.601
Base-Backbone interact. energy: -0.085
local terms energy: -47.334392
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -90.173289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.173289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.173289 (E_RNA)
where:
Base-Base interactions energy: -30.714
where: short stacking energy: -20.820
Base-Backbone interact. energy: -0.428
local terms energy: -59.030874
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -88.524914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.524914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.524914 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -23.906
Base-Backbone interact. energy: -0.104
local terms energy: -53.700040
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -78.347150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.347150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.347150 (E_RNA)
where:
Base-Base interactions energy: -29.040
where: short stacking energy: -29.040
Base-Backbone interact. energy: -0.167
local terms energy: -49.139589
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -229.770416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.770416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.770416 (E_RNA)
where:
Base-Base interactions energy: -145.580
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.290
local terms energy: -83.900807
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -222.303327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.303327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.303327 (E_RNA)
where:
Base-Base interactions energy: -141.898
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.146
local terms energy: -80.259797
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -202.331668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.331668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.331668 (E_RNA)
where:
Base-Base interactions energy: -122.105
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.024
local terms energy: -80.202529
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -201.556312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.556312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.556312 (E_RNA)
where:
Base-Base interactions energy: -126.783
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.234
local terms energy: -74.538610
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -115.634852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.634852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.634852 (E_RNA)
where:
Base-Base interactions energy: -49.778
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.018
local terms energy: -65.838965
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -96.014780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.014780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.014780 (E_RNA)
where:
Base-Base interactions energy: -43.321
where: short stacking energy: -37.992
Base-Backbone interact. energy: -0.064
local terms energy: -52.630097
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -89.268265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268265 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -27.588
Base-Backbone interact. energy: -1.057
local terms energy: -53.870939
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: 0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -85.984596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.984596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.984596 (E_RNA)
where:
Base-Base interactions energy: -42.390
where: short stacking energy: -39.167
Base-Backbone interact. energy: -0.104
local terms energy: -43.489825
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -84.764070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764070 (E_RNA)
where:
Base-Base interactions energy: -31.243
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.399
local terms energy: -53.121653
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -82.306672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.306672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.306672 (E_RNA)
where:
Base-Base interactions energy: -38.008
where: short stacking energy: -22.624
Base-Backbone interact. energy: 0.172
local terms energy: -44.470903
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -226.230456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.230456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.230456 (E_RNA)
where:
Base-Base interactions energy: -145.115
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.002
local terms energy: -81.113747
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -216.384173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.384173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.384173 (E_RNA)
where:
Base-Base interactions energy: -137.297
where: short stacking energy: -55.432
Base-Backbone interact. energy: -0.596
local terms energy: -78.491256
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -228.275002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.275002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.275002 (E_RNA)
where:
Base-Base interactions energy: -155.378
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.186
local terms energy: -72.711551
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -198.275154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.275154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.275154 (E_RNA)
where:
Base-Base interactions energy: -119.470
where: short stacking energy: -58.209
Base-Backbone interact. energy: -0.597
local terms energy: -78.208781
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -115.744984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.744984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.744984 (E_RNA)
where:
Base-Base interactions energy: -58.181
where: short stacking energy: -40.389
Base-Backbone interact. energy: -0.034
local terms energy: -57.529855
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -111.905073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.905073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.905073 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.044
local terms energy: -63.637160
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -95.797885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.797885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.797885 (E_RNA)
where:
Base-Base interactions energy: -38.942
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.135
local terms energy: -56.720749
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -85.887253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.887253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.887253 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -27.595
Base-Backbone interact. energy: -0.503
local terms energy: -49.470216
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: 2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -87.037034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037034 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -32.338
Base-Backbone interact. energy: -0.052
local terms energy: -53.355755
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -87.877545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.877545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.877545 (E_RNA)
where:
Base-Base interactions energy: -34.010
where: short stacking energy: -22.059
Base-Backbone interact. energy: -0.116
local terms energy: -53.751272
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -216.366468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.366468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.366468 (E_RNA)
where:
Base-Base interactions energy: -133.959
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.005
local terms energy: -82.402569
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -214.859785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.859785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.859785 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.001
local terms energy: -82.745720
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -211.119133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.119133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.119133 (E_RNA)
where:
Base-Base interactions energy: -133.860
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.629
local terms energy: -76.629958
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -214.298410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.298410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.298410 (E_RNA)
where:
Base-Base interactions energy: -138.332
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.034
local terms energy: -75.932488
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -112.847318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.847318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.847318 (E_RNA)
where:
Base-Base interactions energy: -56.189
where: short stacking energy: -39.311
Base-Backbone interact. energy: 0.711
local terms energy: -57.369703
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -97.388109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.388109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.388109 (E_RNA)
where:
Base-Base interactions energy: -47.565
where: short stacking energy: -37.487
Base-Backbone interact. energy: 2.981
local terms energy: -52.803931
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -90.664156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.664156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.664156 (E_RNA)
where:
Base-Base interactions energy: -29.345
where: short stacking energy: -29.345
Base-Backbone interact. energy: -0.056
local terms energy: -61.263239
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -79.985366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985366 (E_RNA)
where:
Base-Base interactions energy: -31.422
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.159
local terms energy: -48.404150
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -84.494048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.494048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.494048 (E_RNA)
where:
Base-Base interactions energy: -37.432
where: short stacking energy: -25.021
Base-Backbone interact. energy: -1.158
local terms energy: -45.903597
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -82.168120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.168120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.168120 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -21.623
Base-Backbone interact. energy: -0.057
local terms energy: -48.667474
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -228.118928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.118928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.118928 (E_RNA)
where:
Base-Base interactions energy: -145.729
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.001
local terms energy: -82.388486
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -213.038481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.038481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.038481 (E_RNA)
where:
Base-Base interactions energy: -127.824
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.001
local terms energy: -85.214000
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -216.764195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.764195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.764195 (E_RNA)
where:
Base-Base interactions energy: -135.322
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.007
local terms energy: -81.435284
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -209.182070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.182070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.182070 (E_RNA)
where:
Base-Base interactions energy: -138.286
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.005
local terms energy: -70.891251
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -171.427804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.427804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.427804 (E_RNA)
where:
Base-Base interactions energy: -108.584
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.283
local terms energy: -62.560945
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -96.620050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620050 (E_RNA)
where:
Base-Base interactions energy: -40.634
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.162
local terms energy: -55.824225
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -115.678056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.678056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.678056 (E_RNA)
where:
Base-Base interactions energy: -65.246
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.436
local terms energy: -49.996090
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -100.612289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.612289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.612289 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.170
local terms energy: -59.307279
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -83.080535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.080535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.080535 (E_RNA)
where:
Base-Base interactions energy: -34.349
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.228
local terms energy: -48.503588
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: 4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -76.097900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.097900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.097900 (E_RNA)
where:
Base-Base interactions energy: -30.679
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.969
local terms energy: -44.449406
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -221.382955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.382955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.382955 (E_RNA)
where:
Base-Base interactions energy: -141.896
where: short stacking energy: -71.841
Base-Backbone interact. energy: -0.055
local terms energy: -79.432262
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -212.771092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.771092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.771092 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.125
local terms energy: -76.366704
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -211.321795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.321795 (E_RNA)
where:
Base-Base interactions energy: -135.877
where: short stacking energy: -50.479
Base-Backbone interact. energy: -0.499
local terms energy: -74.945483
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -209.039527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.039527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.039527 (E_RNA)
where:
Base-Base interactions energy: -128.357
where: short stacking energy: -66.289
Base-Backbone interact. energy: -0.009
local terms energy: -80.672723
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -152.950995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.950995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.950995 (E_RNA)
where:
Base-Base interactions energy: -90.953
where: short stacking energy: -53.558
Base-Backbone interact. energy: -1.296
local terms energy: -60.701988
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -99.202630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.202630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.202630 (E_RNA)
where:
Base-Base interactions energy: -35.853
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.317
local terms energy: -63.032535
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -95.982897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.982897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.982897 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.116
local terms energy: -49.493255
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -91.650247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650247 (E_RNA)
where:
Base-Base interactions energy: -39.145
where: short stacking energy: -34.650
Base-Backbone interact. energy: -1.557
local terms energy: -50.947808
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -82.256886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.256886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.256886 (E_RNA)
where:
Base-Base interactions energy: -29.459
where: short stacking energy: -15.017
Base-Backbone interact. energy: -0.579
local terms energy: -52.219463
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -86.857728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857728 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -17.774
Base-Backbone interact. energy: -0.105
local terms energy: -50.667846
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -222.454526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.454526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.454526 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.396
local terms energy: -86.164836
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -222.072326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.072326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.072326 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.006
local terms energy: -79.777837
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -215.696797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.696797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.696797 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -58.722
Base-Backbone interact. energy: -0.284
local terms energy: -69.423509
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -199.715936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.715936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.715936 (E_RNA)
where:
Base-Base interactions energy: -125.850
where: short stacking energy: -55.319
Base-Backbone interact. energy: 0.039
local terms energy: -73.904793
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -157.827827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.827827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.827827 (E_RNA)
where:
Base-Base interactions energy: -89.168
where: short stacking energy: -47.314
Base-Backbone interact. energy: -0.086
local terms energy: -68.573947
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -114.748154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.748154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.748154 (E_RNA)
where:
Base-Base interactions energy: -62.875
where: short stacking energy: -39.254
Base-Backbone interact. energy: 0.186
local terms energy: -52.059080
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -88.013258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.013258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.013258 (E_RNA)
where:
Base-Base interactions energy: -37.837
where: short stacking energy: -24.368
Base-Backbone interact. energy: -0.776
local terms energy: -49.400146
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -95.139298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139298 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.144
local terms energy: -54.204852
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -5.688
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -89.703935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.703935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.703935 (E_RNA)
where:
Base-Base interactions energy: -42.702
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.153
local terms energy: -46.848407
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -81.589241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.589241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.589241 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.279
local terms energy: -44.909956
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: 3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -223.839451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.839451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.839451 (E_RNA)
where:
Base-Base interactions energy: -134.551
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.039
local terms energy: -89.249317
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -222.071025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.071025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.071025 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.001
local terms energy: -76.566225
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -208.719885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.719885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.719885 (E_RNA)
where:
Base-Base interactions energy: -133.716
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.002
local terms energy: -75.001580
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -211.938037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.938037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.938037 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.007
local terms energy: -77.856525
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -151.326291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.326291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.326291 (E_RNA)
where:
Base-Base interactions energy: -92.722
where: short stacking energy: -46.913
Base-Backbone interact. energy: -0.566
local terms energy: -58.038293
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -122.563207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.563207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.563207 (E_RNA)
where:
Base-Base interactions energy: -66.523
where: short stacking energy: -40.362
Base-Backbone interact. energy: 0.992
local terms energy: -57.032176
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -103.604407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.604407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.604407 (E_RNA)
where:
Base-Base interactions energy: -42.229
where: short stacking energy: -29.770
Base-Backbone interact. energy: 0.581
local terms energy: -61.956304
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -88.853441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.853441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.853441 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.050
local terms energy: -56.480621
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -90.090238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090238 (E_RNA)
where:
Base-Base interactions energy: -29.556
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.720
local terms energy: -59.813813
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -78.291135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.291135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.291135 (E_RNA)
where:
Base-Base interactions energy: -29.029
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.346
local terms energy: -48.915956
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -226.051806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.051806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.051806 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.097
local terms energy: -73.382422
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -216.747536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.747536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.747536 (E_RNA)
where:
Base-Base interactions energy: -144.758
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.030
local terms energy: -71.959461
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -204.553916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.553916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.553916 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.073
local terms energy: -71.513726
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -207.440621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.440621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.440621 (E_RNA)
where:
Base-Base interactions energy: -136.672
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.069
local terms energy: -70.698882
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -23.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -156.994098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.994098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.994098 (E_RNA)
where:
Base-Base interactions energy: -90.242
where: short stacking energy: -47.631
Base-Backbone interact. energy: -0.515
local terms energy: -66.237445
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -108.311648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.311648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.311648 (E_RNA)
where:
Base-Base interactions energy: -58.414
where: short stacking energy: -31.712
Base-Backbone interact. energy: 0.130
local terms energy: -50.027848
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -92.050257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.050257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.050257 (E_RNA)
where:
Base-Base interactions energy: -35.516
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.174
local terms energy: -56.360743
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -90.256533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.256533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.256533 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.155
local terms energy: -53.767333
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -96.847479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.847479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.847479 (E_RNA)
where:
Base-Base interactions energy: -41.717
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.124
local terms energy: -55.006853
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -71.531841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.531841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.531841 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -26.920
Base-Backbone interact. energy: -0.234
local terms energy: -41.324020
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -222.635120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.635120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.635120 (E_RNA)
where:
Base-Base interactions energy: -139.731
where: short stacking energy: -61.630
Base-Backbone interact. energy: -0.088
local terms energy: -82.815948
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -216.714674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.714674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.714674 (E_RNA)
where:
Base-Base interactions energy: -137.845
where: short stacking energy: -68.543
Base-Backbone interact. energy: -0.599
local terms energy: -78.270548
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -212.795544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.795544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795544 (E_RNA)
where:
Base-Base interactions energy: -133.216
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.465
local terms energy: -79.114135
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -205.505477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.505477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.505477 (E_RNA)
where:
Base-Base interactions energy: -138.410
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.081
local terms energy: -67.013846
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -136.512359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.512359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.512359 (E_RNA)
where:
Base-Base interactions energy: -77.005
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.878
local terms energy: -58.629679
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -105.641315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.641315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.641315 (E_RNA)
where:
Base-Base interactions energy: -42.383
where: short stacking energy: -42.383
Base-Backbone interact. energy: 0.704
local terms energy: -63.961992
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -104.596267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.596267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.596267 (E_RNA)
where:
Base-Base interactions energy: -52.849
where: short stacking energy: -30.750
Base-Backbone interact. energy: -1.542
local terms energy: -50.205399
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -99.658968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.658968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.658968 (E_RNA)
where:
Base-Base interactions energy: -42.769
where: short stacking energy: -34.122
Base-Backbone interact. energy: -0.475
local terms energy: -56.415274
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -81.794734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.794734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.794734 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -16.614
Base-Backbone interact. energy: -0.341
local terms energy: -40.428714
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -78.921241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.921241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.921241 (E_RNA)
where:
Base-Base interactions energy: -29.322
where: short stacking energy: -28.446
Base-Backbone interact. energy: -1.086
local terms energy: -48.513289
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -220.327843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.327843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327843 (E_RNA)
where:
Base-Base interactions energy: -137.794
where: short stacking energy: -74.251
Base-Backbone interact. energy: -0.013
local terms energy: -82.520978
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -218.672556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672556 (E_RNA)
where:
Base-Base interactions energy: -140.739
where: short stacking energy: -71.057
Base-Backbone interact. energy: -0.001
local terms energy: -77.932906
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -206.262457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.262457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.262457 (E_RNA)
where:
Base-Base interactions energy: -127.856
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.108
local terms energy: -78.298966
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -203.533886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.533886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.533886 (E_RNA)
where:
Base-Base interactions energy: -127.465
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.050
local terms energy: -76.018725
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -108.479046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.479046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.479046 (E_RNA)
where:
Base-Base interactions energy: -44.689
where: short stacking energy: -38.846
Base-Backbone interact. energy: -1.034
local terms energy: -62.756207
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -118.604056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.604056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.604056 (E_RNA)
where:
Base-Base interactions energy: -52.394
where: short stacking energy: -44.310
Base-Backbone interact. energy: 0.741
local terms energy: -66.951200
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -95.173669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173669 (E_RNA)
where:
Base-Base interactions energy: -51.633
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.592
local terms energy: -42.949499
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -85.039792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.039792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.039792 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -27.573
Base-Backbone interact. energy: -0.494
local terms energy: -49.001716
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -90.715896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715896 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -21.604
Base-Backbone interact. energy: -0.046
local terms energy: -58.209718
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -90.271058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.271058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.271058 (E_RNA)
where:
Base-Base interactions energy: -35.258
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.173
local terms energy: -54.839606
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -220.391986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.391986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.391986 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.024
local terms energy: -86.273412
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -221.752956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.752956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.752956 (E_RNA)
where:
Base-Base interactions energy: -137.859
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.001
local terms energy: -83.893181
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -191.914829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.914829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.914829 (E_RNA)
where:
Base-Base interactions energy: -120.183
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.022
local terms energy: -71.709263
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -181.132781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.132781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.132781 (E_RNA)
where:
Base-Base interactions energy: -116.460
where: short stacking energy: -50.177
Base-Backbone interact. energy: -0.330
local terms energy: -64.342977
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -151.818137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.818137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.818137 (E_RNA)
where:
Base-Base interactions energy: -80.626
where: short stacking energy: -49.894
Base-Backbone interact. energy: -0.547
local terms energy: -70.644920
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -102.668155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.668155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.668155 (E_RNA)
where:
Base-Base interactions energy: -47.895
where: short stacking energy: -33.715
Base-Backbone interact. energy: 1.622
local terms energy: -56.394939
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -90.291733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.291733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.291733 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.289
local terms energy: -50.382323
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -84.641390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.641390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.641390 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -21.087
Base-Backbone interact. energy: -0.470
local terms energy: -52.014741
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -81.946983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946983 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -21.080
Base-Backbone interact. energy: -0.561
local terms energy: -50.830229
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -84.462915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.462915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.462915 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -37.346
Base-Backbone interact. energy: 0.310
local terms energy: -47.044228
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -224.210193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.210193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.210193 (E_RNA)
where:
Base-Base interactions energy: -147.273
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.074
local terms energy: -76.862705
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -215.653239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.653239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.653239 (E_RNA)
where:
Base-Base interactions energy: -132.864
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.098
local terms energy: -82.690855
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -178.137570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.137570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.137570 (E_RNA)
where:
Base-Base interactions energy: -106.199
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.450
local terms energy: -71.488924
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -196.125692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.125692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.125692 (E_RNA)
where:
Base-Base interactions energy: -123.533
where: short stacking energy: -52.035
Base-Backbone interact. energy: -0.116
local terms energy: -72.476813
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -132.799542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.799542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.799542 (E_RNA)
where:
Base-Base interactions energy: -69.274
where: short stacking energy: -34.292
Base-Backbone interact. energy: -0.876
local terms energy: -62.650167
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -101.597745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.597745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.597745 (E_RNA)
where:
Base-Base interactions energy: -47.176
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.076
local terms energy: -54.345758
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -99.406986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.406986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.406986 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -39.981
Base-Backbone interact. energy: -0.013
local terms energy: -57.095530
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -91.839223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.839223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.839223 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.549
local terms energy: -50.878856
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -89.178103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.178103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.178103 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -28.330
Base-Backbone interact. energy: -0.069
local terms energy: -57.050258
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -72.851956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.851956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.851956 (E_RNA)
where:
Base-Base interactions energy: -20.883
where: short stacking energy: -18.997
Base-Backbone interact. energy: -0.174
local terms energy: -51.794896
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -228.772931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.772931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.772931 (E_RNA)
where:
Base-Base interactions energy: -151.331
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.000
local terms energy: -77.441324
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -206.978541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.978541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.978541 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.101
local terms energy: -82.550774
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -159.202428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.202428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.202428 (E_RNA)
where:
Base-Base interactions energy: -84.778
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.069
local terms energy: -74.355041
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -189.694752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.694752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.694752 (E_RNA)
where:
Base-Base interactions energy: -119.385
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.136
local terms energy: -70.173833
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -139.056476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.056476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.056476 (E_RNA)
where:
Base-Base interactions energy: -81.271
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.323
local terms energy: -57.462177
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -106.372527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.372527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.372527 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.323
local terms energy: -55.576431
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -111.409235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.409235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.409235 (E_RNA)
where:
Base-Base interactions energy: -60.576
where: short stacking energy: -41.994
Base-Backbone interact. energy: -1.326
local terms energy: -49.506919
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -5.353
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -100.372382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.372382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.372382 (E_RNA)
where:
Base-Base interactions energy: -41.811
where: short stacking energy: -29.392
Base-Backbone interact. energy: 1.513
local terms energy: -60.074192
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -76.921194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.921194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.921194 (E_RNA)
where:
Base-Base interactions energy: -21.725
where: short stacking energy: -21.725
Base-Backbone interact. energy: -0.194
local terms energy: -55.001831
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -82.559000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.559000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.559000 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.112
local terms energy: -50.187962
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -218.689345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.689345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.689345 (E_RNA)
where:
Base-Base interactions energy: -138.306
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.010
local terms energy: -80.373125
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -221.066629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.066629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.066629 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.000
local terms energy: -80.516788
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -197.742663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.742663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.742663 (E_RNA)
where:
Base-Base interactions energy: -112.333
where: short stacking energy: -51.727
Base-Backbone interact. energy: -0.003
local terms energy: -85.406400
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -164.903113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.903113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.903113 (E_RNA)
where:
Base-Base interactions energy: -94.845
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.129
local terms energy: -69.929207
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -158.966623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.966623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.966623 (E_RNA)
where:
Base-Base interactions energy: -94.258
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.291
local terms energy: -64.417573
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -95.083791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.083791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.083791 (E_RNA)
where:
Base-Base interactions energy: -45.263
where: short stacking energy: -37.023
Base-Backbone interact. energy: -0.602
local terms energy: -49.219046
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -102.741224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.741224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.741224 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.533
local terms energy: -59.316725
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -102.302400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.302400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.302400 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.081
local terms energy: -59.400726
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -105.615315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.615315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.615315 (E_RNA)
where:
Base-Base interactions energy: -48.889
where: short stacking energy: -32.700
Base-Backbone interact. energy: -1.858
local terms energy: -54.868518
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -72.883909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.883909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.883909 (E_RNA)
where:
Base-Base interactions energy: -25.541
where: short stacking energy: -21.878
Base-Backbone interact. energy: 0.770
local terms energy: -48.112365
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -218.532106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.532106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532106 (E_RNA)
where:
Base-Base interactions energy: -142.715
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.311
local terms energy: -75.505721
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -206.447095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447095 (E_RNA)
where:
Base-Base interactions energy: -128.277
where: short stacking energy: -53.646
Base-Backbone interact. energy: -0.585
local terms energy: -77.584885
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -216.743108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743108 (E_RNA)
where:
Base-Base interactions energy: -142.572
where: short stacking energy: -66.183
Base-Backbone interact. energy: -0.080
local terms energy: -74.090447
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -144.382699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.382699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.382699 (E_RNA)
where:
Base-Base interactions energy: -79.413
where: short stacking energy: -54.659
Base-Backbone interact. energy: -0.009
local terms energy: -64.961555
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -151.468110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.468110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.468110 (E_RNA)
where:
Base-Base interactions energy: -84.152
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.054
local terms energy: -67.262000
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -104.634202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.634202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.634202 (E_RNA)
where:
Base-Base interactions energy: -47.344
where: short stacking energy: -46.725
Base-Backbone interact. energy: -0.130
local terms energy: -57.159514
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -97.044230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.044230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.044230 (E_RNA)
where:
Base-Base interactions energy: -43.557
where: short stacking energy: -38.655
Base-Backbone interact. energy: -0.039
local terms energy: -53.448273
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -88.802867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802867 (E_RNA)
where:
Base-Base interactions energy: -31.332
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.102
local terms energy: -57.369484
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -80.648179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.648179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.648179 (E_RNA)
where:
Base-Base interactions energy: -26.992
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.121
local terms energy: -53.534615
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: 3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -79.083088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083088 (E_RNA)
where:
Base-Base interactions energy: -25.206
where: short stacking energy: -21.352
Base-Backbone interact. energy: -0.834
local terms energy: -53.043342
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -212.080641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.080641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.080641 (E_RNA)
where:
Base-Base interactions energy: -140.667
where: short stacking energy: -62.101
Base-Backbone interact. energy: -0.135
local terms energy: -71.278801
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -213.412846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.412846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.412846 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.434
local terms energy: -81.714592
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -158.082020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.082020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.082020 (E_RNA)
where:
Base-Base interactions energy: -82.371
where: short stacking energy: -54.254
Base-Backbone interact. energy: -1.024
local terms energy: -74.687699
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -213.853975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.853975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.853975 (E_RNA)
where:
Base-Base interactions energy: -135.721
where: short stacking energy: -67.001
Base-Backbone interact. energy: -0.403
local terms energy: -77.729240
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -142.870866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.870866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.870866 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.042
local terms energy: -66.151279
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -112.963532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.963532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.963532 (E_RNA)
where:
Base-Base interactions energy: -57.610
where: short stacking energy: -41.047
Base-Backbone interact. energy: 0.254
local terms energy: -55.607892
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -97.093328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.093328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.093328 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -27.653
Base-Backbone interact. energy: -0.255
local terms energy: -59.944974
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -89.414844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.414844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.414844 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -32.852
Base-Backbone interact. energy: 0.199
local terms energy: -56.758277
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -89.613124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.613124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.613124 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -32.208
Base-Backbone interact. energy: -0.256
local terms energy: -55.915447
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -71.333122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.333122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.333122 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -22.557
Base-Backbone interact. energy: -0.246
local terms energy: -43.526493
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -214.926910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.926910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.926910 (E_RNA)
where:
Base-Base interactions energy: -139.324
where: short stacking energy: -62.993
Base-Backbone interact. energy: -0.378
local terms energy: -75.225216
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -199.358793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.358793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.358793 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.099
local terms energy: -76.346153
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -148.428391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.428391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.428391 (E_RNA)
where:
Base-Base interactions energy: -82.948
where: short stacking energy: -54.197
Base-Backbone interact. energy: 0.262
local terms energy: -65.742424
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -209.390788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.390788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.390788 (E_RNA)
where:
Base-Base interactions energy: -129.574
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.003
local terms energy: -79.813319
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -129.614471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.614471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.614471 (E_RNA)
where:
Base-Base interactions energy: -71.094
where: short stacking energy: -27.860
Base-Backbone interact. energy: -0.571
local terms energy: -57.949613
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -94.749656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.749656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.749656 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -40.301
Base-Backbone interact. energy: -0.097
local terms energy: -54.351584
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -93.847780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.847780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.847780 (E_RNA)
where:
Base-Base interactions energy: -46.915
where: short stacking energy: -36.158
Base-Backbone interact. energy: -0.100
local terms energy: -46.832707
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -88.988921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988921 (E_RNA)
where:
Base-Base interactions energy: -39.011
where: short stacking energy: -26.367
Base-Backbone interact. energy: -0.309
local terms energy: -49.668532
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -88.308972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.308972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.308972 (E_RNA)
where:
Base-Base interactions energy: -29.786
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.687
local terms energy: -57.835789
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -77.711980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.711980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.711980 (E_RNA)
where:
Base-Base interactions energy: -38.769
where: short stacking energy: -22.961
Base-Backbone interact. energy: -0.426
local terms energy: -38.516422
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -221.709387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.709387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.709387 (E_RNA)
where:
Base-Base interactions energy: -142.174
where: short stacking energy: -67.538
Base-Backbone interact. energy: -0.029
local terms energy: -79.506590
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -190.268601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.268601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.268601 (E_RNA)
where:
Base-Base interactions energy: -117.809
where: short stacking energy: -49.149
Base-Backbone interact. energy: -0.803
local terms energy: -71.656863
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -226.430781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.430781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.430781 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -71.595
Base-Backbone interact. energy: -0.416
local terms energy: -81.289084
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -152.749173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.749173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.749173 (E_RNA)
where:
Base-Base interactions energy: -84.403
where: short stacking energy: -54.028
Base-Backbone interact. energy: 2.336
local terms energy: -70.681971
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -115.121411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.121411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.121411 (E_RNA)
where:
Base-Base interactions energy: -49.210
where: short stacking energy: -43.908
Base-Backbone interact. energy: -0.063
local terms energy: -65.848211
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -94.308016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.308016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.308016 (E_RNA)
where:
Base-Base interactions energy: -42.440
where: short stacking energy: -37.576
Base-Backbone interact. energy: 0.399
local terms energy: -52.266909
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -84.560335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.560335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.560335 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.313
local terms energy: -48.328220
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -89.280631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.280631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.280631 (E_RNA)
where:
Base-Base interactions energy: -31.268
where: short stacking energy: -31.268
Base-Backbone interact. energy: -0.002
local terms energy: -58.010547
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -96.403399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.403399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.403399 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -32.922
Base-Backbone interact. energy: -0.228
local terms energy: -61.636357
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -84.884514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.884514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.884514 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -32.167
Base-Backbone interact. energy: -0.206
local terms energy: -52.511307
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -3.659
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -225.769363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.769363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.769363 (E_RNA)
where:
Base-Base interactions energy: -138.184
where: short stacking energy: -63.075
Base-Backbone interact. energy: 1.403
local terms energy: -88.987606
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -222.055386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.055386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.055386 (E_RNA)
where:
Base-Base interactions energy: -140.173
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.007
local terms energy: -81.875465
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -190.039958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.039958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.039958 (E_RNA)
where:
Base-Base interactions energy: -119.512
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.178
local terms energy: -70.349530
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -164.516439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.516439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.516439 (E_RNA)
where:
Base-Base interactions energy: -95.641
where: short stacking energy: -58.571
Base-Backbone interact. energy: -0.006
local terms energy: -68.869140
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -104.995465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.995465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.995465 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.170
local terms energy: -67.425702
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -94.942355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.942355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.942355 (E_RNA)
where:
Base-Base interactions energy: -49.519
where: short stacking energy: -39.472
Base-Backbone interact. energy: 1.171
local terms energy: -46.594188
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -101.339065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.339065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.339065 (E_RNA)
where:
Base-Base interactions energy: -43.045
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.097
local terms energy: -58.196595
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -93.301878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301878 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -38.507
Base-Backbone interact. energy: -0.224
local terms energy: -52.090040
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -85.281584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.281584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.281584 (E_RNA)
where:
Base-Base interactions energy: -28.515
where: short stacking energy: -24.834
Base-Backbone interact. energy: -1.314
local terms energy: -55.452693
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -81.792009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.792009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.792009 (E_RNA)
where:
Base-Base interactions energy: -36.381
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.280
local terms energy: -45.131081
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -227.066392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.066392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.066392 (E_RNA)
where:
Base-Base interactions energy: -149.058
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.101
local terms energy: -77.907858
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -217.836390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.836390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.836390 (E_RNA)
where:
Base-Base interactions energy: -131.597
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.152
local terms energy: -86.087624
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -192.410641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.410641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.410641 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.429
local terms energy: -74.890100
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -127.660804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.660804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.660804 (E_RNA)
where:
Base-Base interactions energy: -62.071
where: short stacking energy: -44.256
Base-Backbone interact. energy: -0.087
local terms energy: -65.503419
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -102.688288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.688288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.688288 (E_RNA)
where:
Base-Base interactions energy: -44.307
where: short stacking energy: -35.944
Base-Backbone interact. energy: -1.612
local terms energy: -56.769440
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -117.744718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.744718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.744718 (E_RNA)
where:
Base-Base interactions energy: -60.772
where: short stacking energy: -35.505
Base-Backbone interact. energy: 0.418
local terms energy: -57.391032
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -103.268748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.268748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.268748 (E_RNA)
where:
Base-Base interactions energy: -42.362
where: short stacking energy: -38.902
Base-Backbone interact. energy: -0.486
local terms energy: -60.420541
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -85.295117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.295117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.295117 (E_RNA)
where:
Base-Base interactions energy: -29.485
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.282
local terms energy: -55.527630
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -82.470230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.470230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.470230 (E_RNA)
where:
Base-Base interactions energy: -38.011
where: short stacking energy: -27.744
Base-Backbone interact. energy: -0.820
local terms energy: -43.639271
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: 2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -94.809238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.809238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.809238 (E_RNA)
where:
Base-Base interactions energy: -44.666
where: short stacking energy: -44.034
Base-Backbone interact. energy: -1.888
local terms energy: -48.254639
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -8.258
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -223.354313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.354313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.354313 (E_RNA)
where:
Base-Base interactions energy: -142.945
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.539
local terms energy: -79.869759
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -214.180122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.180122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.180122 (E_RNA)
where:
Base-Base interactions energy: -134.927
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.013
local terms energy: -79.240056
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -193.873893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.873893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.873893 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.279
local terms energy: -71.146589
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -117.962067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.962067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.962067 (E_RNA)
where:
Base-Base interactions energy: -59.225
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.254
local terms energy: -58.483343
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -108.961041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.961041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.961041 (E_RNA)
where:
Base-Base interactions energy: -47.415
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.082
local terms energy: -61.464292
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -107.319000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.319000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.319000 (E_RNA)
where:
Base-Base interactions energy: -44.242
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.330
local terms energy: -62.747082
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -97.375365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.375365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.375365 (E_RNA)
where:
Base-Base interactions energy: -41.596
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.131
local terms energy: -55.648606
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -89.646276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646276 (E_RNA)
where:
Base-Base interactions energy: -36.906
where: short stacking energy: -30.475
Base-Backbone interact. energy: 0.213
local terms energy: -52.952779
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -79.993970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.993970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.993970 (E_RNA)
where:
Base-Base interactions energy: -28.969
where: short stacking energy: -28.844
Base-Backbone interact. energy: -0.285
local terms energy: -50.740398
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -81.027773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.027773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.027773 (E_RNA)
where:
Base-Base interactions energy: -35.877
where: short stacking energy: -35.186
Base-Backbone interact. energy: 0.371
local terms energy: -45.521570
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -224.573064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.573064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.573064 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.026
local terms energy: -85.418939
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -23.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -216.871751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.871751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.871751 (E_RNA)
where:
Base-Base interactions energy: -142.709
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.001
local terms energy: -74.162553
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -209.543277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.543277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.543277 (E_RNA)
where:
Base-Base interactions energy: -130.118
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.047
local terms energy: -79.378055
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -132.148899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.148899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.148899 (E_RNA)
where:
Base-Base interactions energy: -65.048
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.232
local terms energy: -66.869057
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -124.797417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.797417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.797417 (E_RNA)
where:
Base-Base interactions energy: -57.471
where: short stacking energy: -43.972
Base-Backbone interact. energy: 1.818
local terms energy: -69.144601
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -122.459588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.459588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.459588 (E_RNA)
where:
Base-Base interactions energy: -52.335
where: short stacking energy: -51.865
Base-Backbone interact. energy: -0.026
local terms energy: -70.097940
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -94.426171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.426171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.426171 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.128
local terms energy: -53.600458
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -93.087264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.087264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.087264 (E_RNA)
where:
Base-Base interactions energy: -36.653
where: short stacking energy: -25.001
Base-Backbone interact. energy: -0.404
local terms energy: -56.030683
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -83.423973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.423973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.423973 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -23.910
Base-Backbone interact. energy: -0.911
local terms energy: -53.495066
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -85.426658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426658 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.075
local terms energy: -48.690616
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -217.188832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.188832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.188832 (E_RNA)
where:
Base-Base interactions energy: -135.338
where: short stacking energy: -58.849
Base-Backbone interact. energy: 0.057
local terms energy: -81.907655
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -229.684973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.684973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.684973 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -67.952
Base-Backbone interact. energy: -0.044
local terms energy: -79.172112
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -202.547460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.547460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.547460 (E_RNA)
where:
Base-Base interactions energy: -125.376
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.311
local terms energy: -76.859711
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -127.029434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.029434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.029434 (E_RNA)
where:
Base-Base interactions energy: -62.130
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.047
local terms energy: -64.852256
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -104.543346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.543346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.543346 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -35.497
Base-Backbone interact. energy: 1.026
local terms energy: -67.303434
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -102.990239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.990239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.990239 (E_RNA)
where:
Base-Base interactions energy: -42.209
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.310
local terms energy: -60.470702
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -98.218989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.218989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.218989 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -37.815
Base-Backbone interact. energy: -0.008
local terms energy: -60.396034
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -82.186336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186336 (E_RNA)
where:
Base-Base interactions energy: -36.271
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.531
local terms energy: -45.384247
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -81.755053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.755053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.755053 (E_RNA)
where:
Base-Base interactions energy: -23.052
where: short stacking energy: -21.722
Base-Backbone interact. energy: -0.278
local terms energy: -58.425763
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -88.788500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.788500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.788500 (E_RNA)
where:
Base-Base interactions energy: -43.084
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.080
local terms energy: -45.623813
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -227.867414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.867414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.867414 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -68.301
Base-Backbone interact. energy: 0.276
local terms energy: -85.643471
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -211.020335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.020335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.020335 (E_RNA)
where:
Base-Base interactions energy: -132.441
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.088
local terms energy: -78.491268
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -216.714047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.714047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.714047 (E_RNA)
where:
Base-Base interactions energy: -129.826
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.100
local terms energy: -86.787642
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -129.822331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.822331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.822331 (E_RNA)
where:
Base-Base interactions energy: -68.363
where: short stacking energy: -48.206
Base-Backbone interact. energy: -0.259
local terms energy: -61.200834
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -110.476944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.476944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.476944 (E_RNA)
where:
Base-Base interactions energy: -52.980
where: short stacking energy: -48.418
Base-Backbone interact. energy: 0.303
local terms energy: -57.799978
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -105.383011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.383011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.383011 (E_RNA)
where:
Base-Base interactions energy: -51.902
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.250
local terms energy: -53.231599
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -96.908575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.908575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.908575 (E_RNA)
where:
Base-Base interactions energy: -38.138
where: short stacking energy: -38.138
Base-Backbone interact. energy: -0.074
local terms energy: -58.696567
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -93.460889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.460889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.460889 (E_RNA)
where:
Base-Base interactions energy: -35.367
where: short stacking energy: -27.452
Base-Backbone interact. energy: -0.130
local terms energy: -57.964154
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -92.635340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.635340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.635340 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -37.939
Base-Backbone interact. energy: -0.112
local terms energy: -52.907314
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -83.735428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.735428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.735428 (E_RNA)
where:
Base-Base interactions energy: -31.737
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.240
local terms energy: -51.758458
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -224.765640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.765640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.765640 (E_RNA)
where:
Base-Base interactions energy: -154.392
where: short stacking energy: -66.598
Base-Backbone interact. energy: -0.004
local terms energy: -70.369118
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -222.155872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155872 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.796
local terms energy: -79.870829
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -200.771010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.771010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.771010 (E_RNA)
where:
Base-Base interactions energy: -132.606
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.055
local terms energy: -68.110215
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -127.243247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.243247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.243247 (E_RNA)
where:
Base-Base interactions energy: -67.248
where: short stacking energy: -48.285
Base-Backbone interact. energy: -1.195
local terms energy: -58.800795
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -132.385660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.385660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.385660 (E_RNA)
where:
Base-Base interactions energy: -68.246
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.585
local terms energy: -63.554877
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -107.428454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.428454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.428454 (E_RNA)
where:
Base-Base interactions energy: -56.141
where: short stacking energy: -32.360
Base-Backbone interact. energy: -1.015
local terms energy: -50.272860
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -88.750366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750366 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -20.295
Base-Backbone interact. energy: -1.070
local terms energy: -57.462216
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -85.752880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.752880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.752880 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -33.010
Base-Backbone interact. energy: -0.356
local terms energy: -49.459284
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -3.252
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -87.096258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096258 (E_RNA)
where:
Base-Base interactions energy: -31.474
where: short stacking energy: -30.752
Base-Backbone interact. energy: -0.045
local terms energy: -55.576702
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -83.210173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210173 (E_RNA)
where:
Base-Base interactions energy: -37.393
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.444
local terms energy: -45.373187
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -9.069
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -220.778217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.778217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.778217 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.756
local terms energy: -77.155781
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -214.222165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.222165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.222165 (E_RNA)
where:
Base-Base interactions energy: -139.827
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.100
local terms energy: -74.295431
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -209.360603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.360603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.360603 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.229
local terms energy: -81.253005
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -122.914778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.914778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.914778 (E_RNA)
where:
Base-Base interactions energy: -64.588
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.233
local terms energy: -58.093740
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -122.171907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.171907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.171907 (E_RNA)
where:
Base-Base interactions energy: -61.916
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.056
local terms energy: -60.199654
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -120.129225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.129225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.129225 (E_RNA)
where:
Base-Base interactions energy: -65.035
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.298
local terms energy: -54.795468
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -90.335018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335018 (E_RNA)
where:
Base-Base interactions energy: -39.799
where: short stacking energy: -38.941
Base-Backbone interact. energy: -0.857
local terms energy: -49.679350
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -93.297264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.297264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.297264 (E_RNA)
where:
Base-Base interactions energy: -39.993
where: short stacking energy: -39.130
Base-Backbone interact. energy: -0.736
local terms energy: -52.568406
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -78.143362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.143362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.143362 (E_RNA)
where:
Base-Base interactions energy: -20.202
where: short stacking energy: -14.441
Base-Backbone interact. energy: -0.178
local terms energy: -57.763803
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -84.850921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850921 (E_RNA)
where:
Base-Base interactions energy: -28.139
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.137
local terms energy: -56.575365
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -220.980088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.980088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.980088 (E_RNA)
where:
Base-Base interactions energy: -142.573
where: short stacking energy: -69.171
Base-Backbone interact. energy: -0.017
local terms energy: -78.390354
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -216.626884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.626884 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -60.889
Base-Backbone interact. energy: 0.034
local terms energy: -81.960941
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -216.108771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.108771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.108771 (E_RNA)
where:
Base-Base interactions energy: -138.471
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.001
local terms energy: -77.636585
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -124.258832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.258832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.258832 (E_RNA)
where:
Base-Base interactions energy: -60.872
where: short stacking energy: -51.938
Base-Backbone interact. energy: -0.046
local terms energy: -63.340945
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -111.294997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.294997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.294997 (E_RNA)
where:
Base-Base interactions energy: -52.556
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.004
local terms energy: -58.734758
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -95.895788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.895788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.895788 (E_RNA)
where:
Base-Base interactions energy: -43.621
where: short stacking energy: -39.162
Base-Backbone interact. energy: -0.128
local terms energy: -52.146764
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -111.046167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.046167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.046167 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -26.280
Base-Backbone interact. energy: -0.765
local terms energy: -57.011202
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -80.747405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747405 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -31.100
Base-Backbone interact. energy: -0.107
local terms energy: -49.540847
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -84.474740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474740 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -27.721
Base-Backbone interact. energy: 0.470
local terms energy: -45.495917
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: 1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -78.773958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.773958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.773958 (E_RNA)
where:
Base-Base interactions energy: -26.915
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.098
local terms energy: -51.761182
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -215.090728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.090728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.090728 (E_RNA)
where:
Base-Base interactions energy: -133.543
where: short stacking energy: -66.558
Base-Backbone interact. energy: -0.254
local terms energy: -81.293823
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -212.164248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.164248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.164248 (E_RNA)
where:
Base-Base interactions energy: -130.320
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.623
local terms energy: -81.220542
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -210.881917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.881917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.881917 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.002
local terms energy: -75.727409
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -152.196428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.196428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.196428 (E_RNA)
where:
Base-Base interactions energy: -78.235
where: short stacking energy: -49.825
Base-Backbone interact. energy: 0.360
local terms energy: -74.321204
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -103.396213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.396213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.396213 (E_RNA)
where:
Base-Base interactions energy: -48.214
where: short stacking energy: -35.694
Base-Backbone interact. energy: 0.438
local terms energy: -55.620342
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -99.641372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.641372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.641372 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.060
local terms energy: -63.063500
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -104.369766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.369766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.369766 (E_RNA)
where:
Base-Base interactions energy: -48.897
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.033
local terms energy: -55.440019
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -92.366852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.366852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.366852 (E_RNA)
where:
Base-Base interactions energy: -42.431
where: short stacking energy: -20.033
Base-Backbone interact. energy: 1.321
local terms energy: -51.257735
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: 2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -82.766135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.766135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.766135 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.423
local terms energy: -43.214224
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: 0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -82.992949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.992949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.992949 (E_RNA)
where:
Base-Base interactions energy: -28.596
where: short stacking energy: -25.747
Base-Backbone interact. energy: 0.349
local terms energy: -54.745487
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -5.257
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -214.625350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.625350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.625350 (E_RNA)
where:
Base-Base interactions energy: -135.609
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.004
local terms energy: -79.012541
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -216.156935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.156935 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.051
local terms energy: -77.782187
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -223.055732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.055732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.055732 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.015
local terms energy: -76.355558
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -110.226333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.226333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.226333 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -37.865
Base-Backbone interact. energy: 0.623
local terms energy: -60.142816
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -150.756083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.756083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.756083 (E_RNA)
where:
Base-Base interactions energy: -86.069
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.341
local terms energy: -64.346079
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -105.274617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.274617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.274617 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -41.562
Base-Backbone interact. energy: 0.367
local terms energy: -62.449569
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -89.035266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.035266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.035266 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.289
local terms energy: -56.158134
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -98.657207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.657207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.657207 (E_RNA)
where:
Base-Base interactions energy: -37.694
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.242
local terms energy: -60.721280
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: 1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -83.909362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909362 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -25.239
Base-Backbone interact. energy: -1.995
local terms energy: -49.007356
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -75.994254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.994254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.994254 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -25.062
Base-Backbone interact. energy: -0.747
local terms energy: -43.724535
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -219.095439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.095439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.095439 (E_RNA)
where:
Base-Base interactions energy: -136.800
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.096
local terms energy: -82.199623
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -216.605541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.605541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.605541 (E_RNA)
where:
Base-Base interactions energy: -139.533
where: short stacking energy: -76.990
Base-Backbone interact. energy: -0.157
local terms energy: -76.915078
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -212.732504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732504 (E_RNA)
where:
Base-Base interactions energy: -134.610
where: short stacking energy: -67.923
Base-Backbone interact. energy: -0.006
local terms energy: -78.116870
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -109.569595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.569595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.569595 (E_RNA)
where:
Base-Base interactions energy: -50.839
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.675
local terms energy: -58.056282
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -123.291600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.291600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.291600 (E_RNA)
where:
Base-Base interactions energy: -64.184
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.439
local terms energy: -58.668069
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -104.106629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.106629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.106629 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.220
local terms energy: -54.384688
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -92.685257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.685257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.685257 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -27.785
Base-Backbone interact. energy: 0.173
local terms energy: -53.410433
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -87.524252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524252 (E_RNA)
where:
Base-Base interactions energy: -40.836
where: short stacking energy: -40.836
Base-Backbone interact. energy: -0.160
local terms energy: -46.528118
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -79.004816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.004816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.004816 (E_RNA)
where:
Base-Base interactions energy: -28.610
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.278
local terms energy: -50.116631
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -86.126005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.126005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.126005 (E_RNA)
where:
Base-Base interactions energy: -28.075
where: short stacking energy: -28.117
Base-Backbone interact. energy: -1.132
local terms energy: -56.919465
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -220.867759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.867759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.867759 (E_RNA)
where:
Base-Base interactions energy: -130.458
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.004
local terms energy: -90.405982
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -24.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -222.879453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.879453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.879453 (E_RNA)
where:
Base-Base interactions energy: -144.260
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.394
local terms energy: -78.225766
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -207.991975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.991975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.991975 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -64.357
Base-Backbone interact. energy: -0.615
local terms energy: -77.129662
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -109.225169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.225169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.225169 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -47.493
Base-Backbone interact. energy: 0.170
local terms energy: -59.283716
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -107.522304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.522304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.522304 (E_RNA)
where:
Base-Base interactions energy: -54.786
where: short stacking energy: -38.073
Base-Backbone interact. energy: -0.613
local terms energy: -52.123171
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -114.159891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.159891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.159891 (E_RNA)
where:
Base-Base interactions energy: -53.580
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.690
local terms energy: -59.889649
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -103.148234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.148234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.148234 (E_RNA)
where:
Base-Base interactions energy: -40.447
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.489
local terms energy: -62.211607
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -95.868268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.868268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.868268 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.069
local terms energy: -56.174175
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -96.345692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.345692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.345692 (E_RNA)
where:
Base-Base interactions energy: -37.954
where: short stacking energy: -32.706
Base-Backbone interact. energy: -0.211
local terms energy: -58.180480
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -85.877189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.877189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.877189 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.028
local terms energy: -54.802953
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -210.872397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.872397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.872397 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.041
local terms energy: -73.222136
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -218.782821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.782821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.782821 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -65.482
Base-Backbone interact. energy: -0.000
local terms energy: -76.360243
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -214.642107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.642107 (E_RNA)
where:
Base-Base interactions energy: -131.552
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.045
local terms energy: -83.045234
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -122.379051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.379051 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -50.117
Base-Backbone interact. energy: -0.089
local terms energy: -71.621418
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -102.885197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.885197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.885197 (E_RNA)
where:
Base-Base interactions energy: -46.740
where: short stacking energy: -36.233
Base-Backbone interact. energy: -0.062
local terms energy: -56.083575
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -97.193856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.193856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.193856 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.014
local terms energy: -58.064546
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -111.160512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.160512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.160512 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.194
local terms energy: -55.601075
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -86.061569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.061569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.061569 (E_RNA)
where:
Base-Base interactions energy: -33.379
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.229
local terms energy: -52.453731
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -90.287249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.287249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.287249 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.084
local terms energy: -53.962410
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -86.745022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.745022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.745022 (E_RNA)
where:
Base-Base interactions energy: -32.839
where: short stacking energy: -32.839
Base-Backbone interact. energy: -0.153
local terms energy: -53.753509
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -217.899787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899787 (E_RNA)
where:
Base-Base interactions energy: -138.413
where: short stacking energy: -69.538
Base-Backbone interact. energy: -0.001
local terms energy: -79.486263
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -209.682037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.682037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.682037 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -64.796
Base-Backbone interact. energy: -0.146
local terms energy: -74.062639
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -214.949519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.949519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.949519 (E_RNA)
where:
Base-Base interactions energy: -135.734
where: short stacking energy: -60.831
Base-Backbone interact. energy: -1.205
local terms energy: -78.010276
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -102.040651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.040651 (E_RNA)
where:
Base-Base interactions energy: -40.563
where: short stacking energy: -35.819
Base-Backbone interact. energy: -0.146
local terms energy: -61.331377
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -105.195668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.195668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.195668 (E_RNA)
where:
Base-Base interactions energy: -46.906
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.292
local terms energy: -57.996963
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -109.003780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.003780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.003780 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -33.807
Base-Backbone interact. energy: 0.170
local terms energy: -63.044760
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -98.795645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.795645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.795645 (E_RNA)
where:
Base-Base interactions energy: -41.614
where: short stacking energy: -41.032
Base-Backbone interact. energy: -0.084
local terms energy: -57.098266
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -80.774024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774024 (E_RNA)
where:
Base-Base interactions energy: -31.504
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.012
local terms energy: -49.257294
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -78.917807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.917807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.917807 (E_RNA)
where:
Base-Base interactions energy: -39.696
where: short stacking energy: -29.268
Base-Backbone interact. energy: -0.081
local terms energy: -39.141406
where:
bonds (distance) C4'-P energy: -5.449
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -88.900021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900021 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.081
local terms energy: -51.296800
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -222.001195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.001195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.001195 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -68.748
Base-Backbone interact. energy: 0.318
local terms energy: -83.667348
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -217.410457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.410457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.410457 (E_RNA)
where:
Base-Base interactions energy: -143.980
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.385
local terms energy: -73.045248
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -219.963293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.963293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.963293 (E_RNA)
where:
Base-Base interactions energy: -142.820
where: short stacking energy: -71.152
Base-Backbone interact. energy: -0.145
local terms energy: -76.997435
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -115.115902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.115902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.115902 (E_RNA)
where:
Base-Base interactions energy: -51.062
where: short stacking energy: -41.037
Base-Backbone interact. energy: -0.391
local terms energy: -63.662880
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -114.501895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.501895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.501895 (E_RNA)
where:
Base-Base interactions energy: -60.898
where: short stacking energy: -44.956
Base-Backbone interact. energy: -0.006
local terms energy: -53.597463
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -105.843431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.843431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.843431 (E_RNA)
where:
Base-Base interactions energy: -42.156
where: short stacking energy: -34.802
Base-Backbone interact. energy: -0.101
local terms energy: -63.585969
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -92.419929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.419929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.419929 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -27.714
Base-Backbone interact. energy: 0.321
local terms energy: -62.564277
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -87.311803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311803 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -37.343
Base-Backbone interact. energy: -0.257
local terms energy: -48.561191
where:
bonds (distance) C4'-P energy: -8.024
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -83.221287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221287 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.017
local terms energy: -52.133628
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -88.485916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485916 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.832
local terms energy: -43.233311
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -221.718285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.718285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.718285 (E_RNA)
where:
Base-Base interactions energy: -135.841
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.258
local terms energy: -85.619015
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -218.859340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.859340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.859340 (E_RNA)
where:
Base-Base interactions energy: -143.077
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.150
local terms energy: -75.631851
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -205.112499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.112499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.112499 (E_RNA)
where:
Base-Base interactions energy: -130.315
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.162
local terms energy: -74.635101
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -121.303965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.303965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.303965 (E_RNA)
where:
Base-Base interactions energy: -61.632
where: short stacking energy: -40.064
Base-Backbone interact. energy: -0.210
local terms energy: -59.461275
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -109.383215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.383215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.383215 (E_RNA)
where:
Base-Base interactions energy: -45.564
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.347
local terms energy: -63.472560
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -90.569444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.569444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.569444 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -38.130
Base-Backbone interact. energy: -0.090
local terms energy: -48.055191
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -101.519937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.519937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.519937 (E_RNA)
where:
Base-Base interactions energy: -49.285
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.052
local terms energy: -52.182523
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -91.291109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291109 (E_RNA)
where:
Base-Base interactions energy: -43.406
where: short stacking energy: -28.460
Base-Backbone interact. energy: 1.887
local terms energy: -49.772157
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -72.952346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.952346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.952346 (E_RNA)
where:
Base-Base interactions energy: -23.421
where: short stacking energy: -23.272
Base-Backbone interact. energy: 0.697
local terms energy: -50.228389
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -84.701129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.701129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.701129 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -33.111
Base-Backbone interact. energy: 0.028
local terms energy: -50.274738
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -219.877629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.877629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.877629 (E_RNA)
where:
Base-Base interactions energy: -137.386
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.454
local terms energy: -82.036874
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -227.030000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.030000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.030000 (E_RNA)
where:
Base-Base interactions energy: -141.607
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.989
local terms energy: -84.434539
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -212.103081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.103081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.103081 (E_RNA)
where:
Base-Base interactions energy: -140.373
where: short stacking energy: -68.439
Base-Backbone interact. energy: 1.103
local terms energy: -72.832897
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -108.916746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.916746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.916746 (E_RNA)
where:
Base-Base interactions energy: -46.657
where: short stacking energy: -43.420
Base-Backbone interact. energy: -0.110
local terms energy: -62.149503
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -109.900060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.900060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.900060 (E_RNA)
where:
Base-Base interactions energy: -43.799
where: short stacking energy: -40.869
Base-Backbone interact. energy: -0.022
local terms energy: -66.079869
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -92.656889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.656889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.656889 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -26.926
Base-Backbone interact. energy: 0.678
local terms energy: -60.474567
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -98.198682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.198682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.198682 (E_RNA)
where:
Base-Base interactions energy: -47.252
where: short stacking energy: -41.337
Base-Backbone interact. energy: -0.136
local terms energy: -50.810710
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -95.599233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599233 (E_RNA)
where:
Base-Base interactions energy: -42.382
where: short stacking energy: -34.161
Base-Backbone interact. energy: -1.005
local terms energy: -52.211468
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -81.879564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879564 (E_RNA)
where:
Base-Base interactions energy: -33.148
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.014
local terms energy: -48.717138
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -77.932317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.932317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.932317 (E_RNA)
where:
Base-Base interactions energy: -22.205
where: short stacking energy: -20.741
Base-Backbone interact. energy: -0.245
local terms energy: -55.482373
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -218.362863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.362863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.362863 (E_RNA)
where:
Base-Base interactions energy: -133.527
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.022
local terms energy: -84.813445
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -223.855100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.855100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.855100 (E_RNA)
where:
Base-Base interactions energy: -141.801
where: short stacking energy: -65.736
Base-Backbone interact. energy: -0.001
local terms energy: -82.052792
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -215.525918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.525918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.525918 (E_RNA)
where:
Base-Base interactions energy: -139.931
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.107
local terms energy: -75.487981
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -122.061909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.061909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.061909 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.050
local terms energy: -71.569779
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -106.348300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.348300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.348300 (E_RNA)
where:
Base-Base interactions energy: -43.537
where: short stacking energy: -39.452
Base-Backbone interact. energy: 0.529
local terms energy: -63.341239
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -104.448540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.448540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.448540 (E_RNA)
where:
Base-Base interactions energy: -43.098
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.029
local terms energy: -61.321996
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -107.781242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.781242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.781242 (E_RNA)
where:
Base-Base interactions energy: -56.160
where: short stacking energy: -46.191
Base-Backbone interact. energy: -0.163
local terms energy: -51.458314
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -94.126757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.126757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.126757 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -37.760
Base-Backbone interact. energy: -0.058
local terms energy: -53.045124
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -80.776063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.776063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.776063 (E_RNA)
where:
Base-Base interactions energy: -28.700
where: short stacking energy: -26.490
Base-Backbone interact. energy: 1.338
local terms energy: -53.414592
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -88.957982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957982 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.042
local terms energy: -51.372946
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -227.306242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.306242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.306242 (E_RNA)
where:
Base-Base interactions energy: -138.618
where: short stacking energy: -62.002
Base-Backbone interact. energy: -0.004
local terms energy: -88.683808
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -208.915095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.915095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.915095 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -61.449
Base-Backbone interact. energy: -0.002
local terms energy: -77.472643
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -217.229695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.229695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.229695 (E_RNA)
where:
Base-Base interactions energy: -143.975
where: short stacking energy: -63.670
Base-Backbone interact. energy: 1.327
local terms energy: -74.581220
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -126.441772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.441772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.441772 (E_RNA)
where:
Base-Base interactions energy: -57.906
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.580
local terms energy: -67.955583
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -107.086190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.086190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.086190 (E_RNA)
where:
Base-Base interactions energy: -38.037
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.344
local terms energy: -68.705253
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -103.901141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.901141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.901141 (E_RNA)
where:
Base-Base interactions energy: -49.230
where: short stacking energy: -44.601
Base-Backbone interact. energy: -0.021
local terms energy: -54.649947
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -91.076094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.076094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.076094 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.119
local terms energy: -57.400141
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -90.649032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.649032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.649032 (E_RNA)
where:
Base-Base interactions energy: -37.537
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.667
local terms energy: -52.444414
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -88.366756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.366756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.366756 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.039
local terms energy: -52.959422
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -87.346095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346095 (E_RNA)
where:
Base-Base interactions energy: -37.099
where: short stacking energy: -35.041
Base-Backbone interact. energy: 0.462
local terms energy: -50.709326
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -223.998866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.998866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.998866 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.005
local terms energy: -78.635272
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -221.275086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.275086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.275086 (E_RNA)
where:
Base-Base interactions energy: -150.448
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.067
local terms energy: -70.759975
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -205.336483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.336483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336483 (E_RNA)
where:
Base-Base interactions energy: -131.568
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.013
local terms energy: -73.756275
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -129.777096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.777096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.777096 (E_RNA)
where:
Base-Base interactions energy: -70.365
where: short stacking energy: -40.361
Base-Backbone interact. energy: -0.161
local terms energy: -59.251148
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -104.069034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.069034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.069034 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -40.398
Base-Backbone interact. energy: -0.529
local terms energy: -53.968940
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -102.997790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.997790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.997790 (E_RNA)
where:
Base-Base interactions energy: -34.000
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.009
local terms energy: -68.989044
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -94.262093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.262093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.262093 (E_RNA)
where:
Base-Base interactions energy: -42.218
where: short stacking energy: -35.769
Base-Backbone interact. energy: -1.001
local terms energy: -51.042853
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -115.142938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.142938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.142938 (E_RNA)
where:
Base-Base interactions energy: -54.602
where: short stacking energy: -38.334
Base-Backbone interact. energy: -0.445
local terms energy: -60.095778
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -85.286785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.286785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.286785 (E_RNA)
where:
Base-Base interactions energy: -38.977
where: short stacking energy: -27.516
Base-Backbone interact. energy: 0.075
local terms energy: -46.384697
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -86.076179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.076179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.076179 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -28.321
Base-Backbone interact. energy: -0.050
local terms energy: -54.486954
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -228.101850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.101850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.101850 (E_RNA)
where:
Base-Base interactions energy: -146.748
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.331
local terms energy: -81.022772
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -224.259720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.259720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.259720 (E_RNA)
where:
Base-Base interactions energy: -146.461
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.001
local terms energy: -77.797096
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -213.388627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388627 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.193
local terms energy: -78.257546
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -129.997708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.997708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.997708 (E_RNA)
where:
Base-Base interactions energy: -68.780
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.562
local terms energy: -60.655328
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -106.752872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.752872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.752872 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -49.598
Base-Backbone interact. energy: 1.624
local terms energy: -58.778454
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -104.783258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.783258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.783258 (E_RNA)
where:
Base-Base interactions energy: -57.010
where: short stacking energy: -42.522
Base-Backbone interact. energy: -0.557
local terms energy: -47.216840
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -99.857624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.857624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.857624 (E_RNA)
where:
Base-Base interactions energy: -41.586
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.217
local terms energy: -58.054329
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -96.641493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.641493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.641493 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.173
local terms energy: -58.620838
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -90.596112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.596112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.596112 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -37.318
Base-Backbone interact. energy: -0.260
local terms energy: -50.897227
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.546340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.546340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.546340 (E_RNA)
where:
Base-Base interactions energy: -30.110
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.718
local terms energy: -45.717965
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: 4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -224.387543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.387543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.387543 (E_RNA)
where:
Base-Base interactions energy: -149.756
where: short stacking energy: -62.735
Base-Backbone interact. energy: 0.550
local terms energy: -75.181193
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -227.870367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.870367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.870367 (E_RNA)
where:
Base-Base interactions energy: -145.483
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.042
local terms energy: -82.345374
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -192.606376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606376 (E_RNA)
where:
Base-Base interactions energy: -115.777
where: short stacking energy: -51.578
Base-Backbone interact. energy: -1.171
local terms energy: -75.659234
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -116.194924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.194924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.194924 (E_RNA)
where:
Base-Base interactions energy: -49.777
where: short stacking energy: -44.701
Base-Backbone interact. energy: -0.234
local terms energy: -66.184200
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -125.206465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.206465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.206465 (E_RNA)
where:
Base-Base interactions energy: -72.732
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.128
local terms energy: -52.345767
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -97.245102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.245102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.245102 (E_RNA)
where:
Base-Base interactions energy: -40.625
where: short stacking energy: -34.515
Base-Backbone interact. energy: -0.059
local terms energy: -56.561834
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -91.545919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545919 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -29.954
Base-Backbone interact. energy: 1.979
local terms energy: -60.896266
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -92.594958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.594958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.594958 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.301
local terms energy: -47.658321
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -84.137115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.137115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.137115 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -34.520
Base-Backbone interact. energy: -0.084
local terms energy: -48.324800
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -84.625389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.625389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.625389 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.011
local terms energy: -50.905661
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -228.841163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.841163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.841163 (E_RNA)
where:
Base-Base interactions energy: -141.977
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.703
local terms energy: -86.161706
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -217.820888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.820888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.820888 (E_RNA)
where:
Base-Base interactions energy: -138.019
where: short stacking energy: -62.238
Base-Backbone interact. energy: -0.096
local terms energy: -79.705116
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -203.067103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.067103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.067103 (E_RNA)
where:
Base-Base interactions energy: -128.631
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.192
local terms energy: -74.243983
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -116.947853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.947853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.947853 (E_RNA)
where:
Base-Base interactions energy: -57.984
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.558
local terms energy: -58.405800
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -148.637688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.637688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.637688 (E_RNA)
where:
Base-Base interactions energy: -86.276
where: short stacking energy: -42.970
Base-Backbone interact. energy: -0.140
local terms energy: -62.221456
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -108.157078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.157078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.157078 (E_RNA)
where:
Base-Base interactions energy: -48.674
where: short stacking energy: -47.175
Base-Backbone interact. energy: -0.266
local terms energy: -59.216520
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -8.462
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -86.936339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936339 (E_RNA)
where:
Base-Base interactions energy: -33.071
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.143
local terms energy: -53.721481
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -83.702341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.702341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.702341 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -27.010
Base-Backbone interact. energy: -0.065
local terms energy: -54.222387
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -86.494996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.494996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.494996 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.207
local terms energy: -50.153410
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -83.027347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.027347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.027347 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.655
local terms energy: -49.266399
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -228.694352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.694352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.694352 (E_RNA)
where:
Base-Base interactions energy: -152.997
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.003
local terms energy: -75.694563
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -211.970269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970269 (E_RNA)
where:
Base-Base interactions energy: -139.121
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.955
local terms energy: -71.894149
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -213.768917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.768917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.768917 (E_RNA)
where:
Base-Base interactions energy: -133.053
where: short stacking energy: -65.686
Base-Backbone interact. energy: -0.633
local terms energy: -80.083193
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -149.167467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.167467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.167467 (E_RNA)
where:
Base-Base interactions energy: -92.485
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.812
local terms energy: -55.870542
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -121.181065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.181065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.181065 (E_RNA)
where:
Base-Base interactions energy: -66.595
where: short stacking energy: -27.473
Base-Backbone interact. energy: -0.287
local terms energy: -54.299439
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -98.139628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.139628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.139628 (E_RNA)
where:
Base-Base interactions energy: -41.266
where: short stacking energy: -28.449
Base-Backbone interact. energy: -0.118
local terms energy: -56.755724
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -92.030058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030058 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -27.743
Base-Backbone interact. energy: -0.105
local terms energy: -59.230387
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -87.972144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972144 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -32.225
Base-Backbone interact. energy: -0.312
local terms energy: -52.006422
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -83.034486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.034486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.034486 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -28.966
Base-Backbone interact. energy: -1.063
local terms energy: -50.716044
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -74.881825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.881825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.881825 (E_RNA)
where:
Base-Base interactions energy: -27.580
where: short stacking energy: -22.511
Base-Backbone interact. energy: 0.155
local terms energy: -47.457185
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -231.586599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.586599 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -71.048
Base-Backbone interact. energy: -1.597
local terms energy: -77.416202
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -201.895263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.895263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.895263 (E_RNA)
where:
Base-Base interactions energy: -120.097
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.753
local terms energy: -81.045644
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -216.016677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.016677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.016677 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -68.011
Base-Backbone interact. energy: -0.002
local terms energy: -75.551713
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -152.774535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.774535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.774535 (E_RNA)
where:
Base-Base interactions energy: -96.425
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.071
local terms energy: -56.278295
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -118.888409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.888409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.888409 (E_RNA)
where:
Base-Base interactions energy: -56.420
where: short stacking energy: -46.545
Base-Backbone interact. energy: -1.334
local terms energy: -61.134678
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -113.062893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.062893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.062893 (E_RNA)
where:
Base-Base interactions energy: -44.534
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.110
local terms energy: -68.419012
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -92.132599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.132599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.132599 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.381
local terms energy: -51.775673
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -99.899024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.899024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.899024 (E_RNA)
where:
Base-Base interactions energy: -49.975
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.243
local terms energy: -49.681548
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -82.903703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.903703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.903703 (E_RNA)
where:
Base-Base interactions energy: -31.941
where: short stacking energy: -29.523
Base-Backbone interact. energy: 0.908
local terms energy: -51.870739
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -80.841044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841044 (E_RNA)
where:
Base-Base interactions energy: -29.899
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.216
local terms energy: -50.726498
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -229.014888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014888 (E_RNA)
where:
Base-Base interactions energy: -144.675
where: short stacking energy: -67.850
Base-Backbone interact. energy: -0.001
local terms energy: -84.338631
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -225.902062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.902062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.902062 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.002
local terms energy: -82.612385
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -212.619745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.619745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.619745 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.022
local terms energy: -81.948859
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -172.000139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.000139 (E_RNA)
where:
Base-Base interactions energy: -106.848
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.094
local terms energy: -65.057655
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -106.724997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.724997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.724997 (E_RNA)
where:
Base-Base interactions energy: -48.178
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.831
local terms energy: -57.715275
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -111.200199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.200199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.200199 (E_RNA)
where:
Base-Base interactions energy: -60.629
where: short stacking energy: -41.990
Base-Backbone interact. energy: 2.182
local terms energy: -52.753309
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -94.280877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.280877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.280877 (E_RNA)
where:
Base-Base interactions energy: -43.315
where: short stacking energy: -41.739
Base-Backbone interact. energy: -0.042
local terms energy: -50.923495
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -84.195793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.195793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.195793 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -30.622
Base-Backbone interact. energy: 0.479
local terms energy: -53.071444
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -79.050734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.050734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.050734 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -20.423
Base-Backbone interact. energy: -0.077
local terms energy: -49.087866
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: 5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -79.027172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.027172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.027172 (E_RNA)
where:
Base-Base interactions energy: -32.850
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.065
local terms energy: -46.112419
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -228.551743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.551743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.551743 (E_RNA)
where:
Base-Base interactions energy: -150.013
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.005
local terms energy: -78.534080
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -216.381530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.381530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.381530 (E_RNA)
where:
Base-Base interactions energy: -138.287
where: short stacking energy: -68.742
Base-Backbone interact. energy: -0.260
local terms energy: -77.834707
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -214.596191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.596191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.596191 (E_RNA)
where:
Base-Base interactions energy: -142.216
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.126
local terms energy: -72.254690
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -177.480494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.480494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.480494 (E_RNA)
where:
Base-Base interactions energy: -97.806
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.890
local terms energy: -78.784804
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -118.921768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.921768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.921768 (E_RNA)
where:
Base-Base interactions energy: -55.488
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.077
local terms energy: -63.356744
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -96.498142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.498142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.498142 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -33.330
Base-Backbone interact. energy: -0.398
local terms energy: -60.680246
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -102.655480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.655480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.655480 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -25.093
Base-Backbone interact. energy: -1.146
local terms energy: -62.704134
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -87.291872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291872 (E_RNA)
where:
Base-Base interactions energy: -40.836
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.353
local terms energy: -46.102441
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -82.408542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.408542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.408542 (E_RNA)
where:
Base-Base interactions energy: -23.555
where: short stacking energy: -23.555
Base-Backbone interact. energy: -0.031
local terms energy: -58.822523
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.795666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.795666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.795666 (E_RNA)
where:
Base-Base interactions energy: -28.179
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.078
local terms energy: -54.538948
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -223.596896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.596896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.596896 (E_RNA)
where:
Base-Base interactions energy: -149.142
where: short stacking energy: -64.104
Base-Backbone interact. energy: -0.251
local terms energy: -74.203685
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -218.558239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.558239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558239 (E_RNA)
where:
Base-Base interactions energy: -142.463
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.473
local terms energy: -75.621539
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -209.237591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.237591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237591 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -59.871
Base-Backbone interact. energy: 1.157
local terms energy: -80.924600
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -172.664232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.664232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.664232 (E_RNA)
where:
Base-Base interactions energy: -100.944
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.004
local terms energy: -71.716202
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -119.920697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.920697 (E_RNA)
where:
Base-Base interactions energy: -60.302
where: short stacking energy: -48.135
Base-Backbone interact. energy: -0.082
local terms energy: -59.536660
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -116.260496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.260496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.260496 (E_RNA)
where:
Base-Base interactions energy: -55.271
where: short stacking energy: -50.437
Base-Backbone interact. energy: 0.683
local terms energy: -61.672336
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -95.512796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.512796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.512796 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.743
Base-Backbone interact. energy: -0.156
local terms energy: -58.613950
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -83.561044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.561044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.561044 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -24.630
Base-Backbone interact. energy: -0.156
local terms energy: -48.628060
where:
bonds (distance) C4'-P energy: -4.981
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -82.379940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.379940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.379940 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -38.516
Base-Backbone interact. energy: -0.180
local terms energy: -43.145751
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -78.388756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.388756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.388756 (E_RNA)
where:
Base-Base interactions energy: -24.584
where: short stacking energy: -23.593
Base-Backbone interact. energy: 1.233
local terms energy: -55.037720
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -223.566560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.566560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.566560 (E_RNA)
where:
Base-Base interactions energy: -138.328
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.548
local terms energy: -84.690675
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -212.809782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.809782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.809782 (E_RNA)
where:
Base-Base interactions energy: -141.302
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.003
local terms energy: -71.504607
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -204.181687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.181687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.181687 (E_RNA)
where:
Base-Base interactions energy: -129.072
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.000
local terms energy: -75.109412
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -166.439554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.439554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.439554 (E_RNA)
where:
Base-Base interactions energy: -96.449
where: short stacking energy: -57.590
Base-Backbone interact. energy: 0.240
local terms energy: -70.230704
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -114.522464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.522464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.522464 (E_RNA)
where:
Base-Base interactions energy: -50.529
where: short stacking energy: -50.529
Base-Backbone interact. energy: -0.596
local terms energy: -63.397076
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -96.564529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.564529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.564529 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.087
local terms energy: -57.626909
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -94.850943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.850943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.850943 (E_RNA)
where:
Base-Base interactions energy: -37.328
where: short stacking energy: -20.376
Base-Backbone interact. energy: -0.459
local terms energy: -57.063626
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -88.813212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813212 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -27.233
Base-Backbone interact. energy: -1.943
local terms energy: -45.156090
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: 0.448
tors. eta vs tors. theta energy: 4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -86.020808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.020808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.020808 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -33.025
Base-Backbone interact. energy: -0.268
local terms energy: -51.704576
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -85.404751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404751 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.606
local terms energy: -46.112577
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -222.058108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.058108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.058108 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.045
local terms energy: -81.391713
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -222.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.637799 (E_RNA)
where:
Base-Base interactions energy: -149.531
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.098
local terms energy: -73.009551
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -203.745531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745531 (E_RNA)
where:
Base-Base interactions energy: -127.159
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.032
local terms energy: -76.554582
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -161.256100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.256100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.256100 (E_RNA)
where:
Base-Base interactions energy: -89.268
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.271
local terms energy: -71.716445
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -112.627310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.627310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.627310 (E_RNA)
where:
Base-Base interactions energy: -56.610
where: short stacking energy: -31.230
Base-Backbone interact. energy: -0.206
local terms energy: -55.811723
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -129.056470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.056470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.056470 (E_RNA)
where:
Base-Base interactions energy: -64.896
where: short stacking energy: -40.350
Base-Backbone interact. energy: -0.260
local terms energy: -63.900633
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -93.780917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.780917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.780917 (E_RNA)
where:
Base-Base interactions energy: -39.464
where: short stacking energy: -37.261
Base-Backbone interact. energy: -0.102
local terms energy: -54.214991
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -80.111266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.111266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.111266 (E_RNA)
where:
Base-Base interactions energy: -33.928
where: short stacking energy: -29.161
Base-Backbone interact. energy: 3.854
local terms energy: -50.036919
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -88.835646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.835646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.835646 (E_RNA)
where:
Base-Base interactions energy: -41.618
where: short stacking energy: -37.886
Base-Backbone interact. energy: -0.194
local terms energy: -47.023460
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -4.706
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -75.852763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.852763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.852763 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.280
local terms energy: -43.812605
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -226.014465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.014465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.014465 (E_RNA)
where:
Base-Base interactions energy: -145.498
where: short stacking energy: -66.246
Base-Backbone interact. energy: -0.709
local terms energy: -79.807643
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -214.551119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.551119 (E_RNA)
where:
Base-Base interactions energy: -127.165
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.099
local terms energy: -87.287882
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -182.859369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.859369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.859369 (E_RNA)
where:
Base-Base interactions energy: -108.972
where: short stacking energy: -51.865
Base-Backbone interact. energy: -0.104
local terms energy: -73.783655
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -206.924657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.924657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.924657 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -63.076
Base-Backbone interact. energy: -0.027
local terms energy: -77.115202
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -102.625911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625911 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -35.707
Base-Backbone interact. energy: -0.082
local terms energy: -62.594662
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -118.306545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.306545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.306545 (E_RNA)
where:
Base-Base interactions energy: -64.910
where: short stacking energy: -47.250
Base-Backbone interact. energy: 1.087
local terms energy: -54.483207
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -103.255006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.255006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.255006 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -41.885
Base-Backbone interact. energy: -0.012
local terms energy: -61.358690
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -97.690509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.690509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.690509 (E_RNA)
where:
Base-Base interactions energy: -46.030
where: short stacking energy: -41.315
Base-Backbone interact. energy: -0.115
local terms energy: -51.545693
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -86.462193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.462193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.462193 (E_RNA)
where:
Base-Base interactions energy: -33.612
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.183
local terms energy: -52.667253
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -80.829916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.829916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.829916 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.119
local terms energy: -51.799264
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -218.348592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.348592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348592 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.070
local terms energy: -83.929645
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -210.273544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.273544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.273544 (E_RNA)
where:
Base-Base interactions energy: -137.826
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.031
local terms energy: -72.416851
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -192.057074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.057074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.057074 (E_RNA)
where:
Base-Base interactions energy: -121.019
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.045
local terms energy: -70.992865
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -212.726861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.726861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.726861 (E_RNA)
where:
Base-Base interactions energy: -135.651
where: short stacking energy: -52.954
Base-Backbone interact. energy: -1.411
local terms energy: -75.664081
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -117.641323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.641323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.641323 (E_RNA)
where:
Base-Base interactions energy: -50.053
where: short stacking energy: -42.955
Base-Backbone interact. energy: -0.140
local terms energy: -67.447797
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -101.322552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.322552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.322552 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.038
local terms energy: -67.111972
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -90.205341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.205341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.205341 (E_RNA)
where:
Base-Base interactions energy: -29.201
where: short stacking energy: -26.559
Base-Backbone interact. energy: -0.219
local terms energy: -60.785283
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -84.082685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.082685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.082685 (E_RNA)
where:
Base-Base interactions energy: -29.404
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.140
local terms energy: -54.538978
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -87.347650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.347650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.347650 (E_RNA)
where:
Base-Base interactions energy: -28.298
where: short stacking energy: -25.856
Base-Backbone interact. energy: -0.887
local terms energy: -58.163275
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -78.128139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.128139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.128139 (E_RNA)
where:
Base-Base interactions energy: -28.176
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.126
local terms energy: -49.827028
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -211.336212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.336212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.336212 (E_RNA)
where:
Base-Base interactions energy: -132.902
where: short stacking energy: -63.480
Base-Backbone interact. energy: -0.390
local terms energy: -78.044237
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -223.293922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.293922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.293922 (E_RNA)
where:
Base-Base interactions energy: -145.067
where: short stacking energy: -69.261
Base-Backbone interact. energy: -0.374
local terms energy: -77.852854
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -178.832983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.832983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.832983 (E_RNA)
where:
Base-Base interactions energy: -105.319
where: short stacking energy: -53.014
Base-Backbone interact. energy: -1.076
local terms energy: -72.437573
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -204.725021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.725021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.725021 (E_RNA)
where:
Base-Base interactions energy: -133.726
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.852
local terms energy: -70.147354
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -106.037386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.037386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.037386 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -44.828
Base-Backbone interact. energy: -0.000
local terms energy: -61.191825
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -104.083563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083563 (E_RNA)
where:
Base-Base interactions energy: -44.783
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.223
local terms energy: -59.077156
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -82.692226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692226 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -9.536
Base-Backbone interact. energy: -0.227
local terms energy: -45.557207
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: 3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -86.896226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896226 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -30.202
Base-Backbone interact. energy: -0.202
local terms energy: -54.505437
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -103.937635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.937635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.937635 (E_RNA)
where:
Base-Base interactions energy: -56.447
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.323
local terms energy: -47.168031
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -71.768318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.768318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.768318 (E_RNA)
where:
Base-Base interactions energy: -20.447
where: short stacking energy: -17.964
Base-Backbone interact. energy: -0.135
local terms energy: -51.186964
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -217.511018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.511018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.511018 (E_RNA)
where:
Base-Base interactions energy: -139.698
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.094
local terms energy: -77.719627
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -196.570083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.570083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.570083 (E_RNA)
where:
Base-Base interactions energy: -115.078
where: short stacking energy: -60.649
Base-Backbone interact. energy: -0.228
local terms energy: -81.264366
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -211.083638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.083638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.083638 (E_RNA)
where:
Base-Base interactions energy: -142.578
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.117
local terms energy: -68.389191
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -202.731370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.731370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.731370 (E_RNA)
where:
Base-Base interactions energy: -130.991
where: short stacking energy: -66.342
Base-Backbone interact. energy: -0.046
local terms energy: -71.694333
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -107.023115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.023115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.023115 (E_RNA)
where:
Base-Base interactions energy: -47.039
where: short stacking energy: -46.189
Base-Backbone interact. energy: -0.418
local terms energy: -59.566133
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -109.244898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.244898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.244898 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.094
local terms energy: -66.400083
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -95.956778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.956778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.956778 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.035
local terms energy: -58.232307
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -92.860859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.860859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.860859 (E_RNA)
where:
Base-Base interactions energy: -45.084
where: short stacking energy: -43.887
Base-Backbone interact. energy: -0.187
local terms energy: -47.589360
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -90.788267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788267 (E_RNA)
where:
Base-Base interactions energy: -47.639
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.368
local terms energy: -42.781368
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -1.306
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -93.489985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.489985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.489985 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.294
local terms energy: -53.579551
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -226.845161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.845161 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.028
local terms energy: -79.777103
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -199.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.487865 (E_RNA)
where:
Base-Base interactions energy: -125.946
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.065
local terms energy: -73.477083
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -215.421528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.421528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.421528 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.158
local terms energy: -82.920872
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -206.323148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.323148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.323148 (E_RNA)
where:
Base-Base interactions energy: -132.540
where: short stacking energy: -61.712
Base-Backbone interact. energy: 0.705
local terms energy: -74.487884
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -92.932071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.932071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.932071 (E_RNA)
where:
Base-Base interactions energy: -41.991
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.095
local terms energy: -50.846498
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -105.178641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.178641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.178641 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -37.257
Base-Backbone interact. energy: -0.170
local terms energy: -59.714360
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -99.274061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.274061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.274061 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -24.018
Base-Backbone interact. energy: -0.050
local terms energy: -53.592988
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -87.751605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.751605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.751605 (E_RNA)
where:
Base-Base interactions energy: -44.582
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.103
local terms energy: -43.066364
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -92.744369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.744369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.744369 (E_RNA)
where:
Base-Base interactions energy: -31.449
where: short stacking energy: -31.449
Base-Backbone interact. energy: -0.146
local terms energy: -61.149258
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -85.501685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.501685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.501685 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.073
local terms energy: -51.755785
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: 2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -217.566149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566149 (E_RNA)
where:
Base-Base interactions energy: -138.143
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.764
local terms energy: -78.659626
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -200.139625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.139625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.139625 (E_RNA)
where:
Base-Base interactions energy: -129.707
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.684
local terms energy: -69.748383
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -203.521089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521089 (E_RNA)
where:
Base-Base interactions energy: -130.123
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.060
local terms energy: -73.337291
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -199.186460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.186460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.186460 (E_RNA)
where:
Base-Base interactions energy: -132.554
where: short stacking energy: -52.293
Base-Backbone interact. energy: -0.151
local terms energy: -66.481305
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -106.110000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.110000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.110000 (E_RNA)
where:
Base-Base interactions energy: -48.793
where: short stacking energy: -37.674
Base-Backbone interact. energy: -0.180
local terms energy: -57.136534
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -97.087862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.087862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.087862 (E_RNA)
where:
Base-Base interactions energy: -45.117
where: short stacking energy: -36.318
Base-Backbone interact. energy: -1.316
local terms energy: -50.654669
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -88.811222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.811222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.811222 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -31.643
Base-Backbone interact. energy: 0.765
local terms energy: -56.705924
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -87.240903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.240903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.240903 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.126
local terms energy: -50.591014
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -81.185161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.185161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.185161 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -31.444
Base-Backbone interact. energy: -0.518
local terms energy: -46.481856
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -82.972056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.972056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.972056 (E_RNA)
where:
Base-Base interactions energy: -35.874
where: short stacking energy: -24.996
Base-Backbone interact. energy: -0.313
local terms energy: -46.785375
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -219.377297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.377297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.377297 (E_RNA)
where:
Base-Base interactions energy: -137.948
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.069
local terms energy: -81.360149
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -189.476530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.476530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.476530 (E_RNA)
where:
Base-Base interactions energy: -104.844
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.883
local terms energy: -83.748782
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -213.893355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893355 (E_RNA)
where:
Base-Base interactions energy: -140.012
where: short stacking energy: -65.458
Base-Backbone interact. energy: -0.172
local terms energy: -73.709260
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -206.724647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.724647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.724647 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -63.202
Base-Backbone interact. energy: -0.003
local terms energy: -73.836862
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -101.394728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.394728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.394728 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -37.123
Base-Backbone interact. energy: 0.426
local terms energy: -57.675001
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -87.683017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.683017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.683017 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -33.173
Base-Backbone interact. energy: -0.074
local terms energy: -52.789264
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -94.293464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293464 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.303
local terms energy: -58.514755
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -104.700887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.700887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.700887 (E_RNA)
where:
Base-Base interactions energy: -42.218
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.100
local terms energy: -62.382704
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -69.655238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.655238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.655238 (E_RNA)
where:
Base-Base interactions energy: -29.934
where: short stacking energy: -29.052
Base-Backbone interact. energy: 0.603
local terms energy: -40.324223
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -80.488093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.488093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.488093 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -24.890
Base-Backbone interact. energy: -0.434
local terms energy: -43.513546
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: 1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -219.590918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.590918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.590918 (E_RNA)
where:
Base-Base interactions energy: -143.051
where: short stacking energy: -71.411
Base-Backbone interact. energy: -0.072
local terms energy: -76.467415
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -210.228721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.228721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.228721 (E_RNA)
where:
Base-Base interactions energy: -129.316
where: short stacking energy: -53.510
Base-Backbone interact. energy: -0.486
local terms energy: -80.426798
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -188.986291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.986291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.986291 (E_RNA)
where:
Base-Base interactions energy: -116.604
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.812
local terms energy: -71.570833
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -209.438233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.438233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.438233 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.001
local terms energy: -69.690993
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -108.244463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.244463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.244463 (E_RNA)
where:
Base-Base interactions energy: -46.002
where: short stacking energy: -46.002
Base-Backbone interact. energy: 2.677
local terms energy: -64.918524
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -97.613745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.613745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.613745 (E_RNA)
where:
Base-Base interactions energy: -41.767
where: short stacking energy: -40.643
Base-Backbone interact. energy: -0.061
local terms energy: -55.785841
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -98.177425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.177425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.177425 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -34.766
Base-Backbone interact. energy: -1.978
local terms energy: -55.425159
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -89.268657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268657 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -31.176
Base-Backbone interact. energy: -0.100
local terms energy: -56.580084
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -89.045059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.045059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.045059 (E_RNA)
where:
Base-Base interactions energy: -40.756
where: short stacking energy: -40.136
Base-Backbone interact. energy: -0.089
local terms energy: -48.199605
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -75.214134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.214134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.214134 (E_RNA)
where:
Base-Base interactions energy: -17.197
where: short stacking energy: -16.390
Base-Backbone interact. energy: -0.075
local terms energy: -57.942835
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: 2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -212.405360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.405360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.405360 (E_RNA)
where:
Base-Base interactions energy: -134.393
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.025
local terms energy: -77.987155
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -215.238326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.238326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.238326 (E_RNA)
where:
Base-Base interactions energy: -137.467
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.008
local terms energy: -77.762839
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -179.364726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.364726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.364726 (E_RNA)
where:
Base-Base interactions energy: -112.285
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.118
local terms energy: -66.962012
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -183.137709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.137709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.137709 (E_RNA)
where:
Base-Base interactions energy: -109.405
where: short stacking energy: -49.739
Base-Backbone interact. energy: -0.665
local terms energy: -73.068213
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -112.607214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.607214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.607214 (E_RNA)
where:
Base-Base interactions energy: -52.384
where: short stacking energy: -52.384
Base-Backbone interact. energy: 0.682
local terms energy: -60.905018
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -118.242450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.242450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.242450 (E_RNA)
where:
Base-Base interactions energy: -54.997
where: short stacking energy: -33.848
Base-Backbone interact. energy: 0.084
local terms energy: -63.329879
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -94.461633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.461633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.461633 (E_RNA)
where:
Base-Base interactions energy: -40.535
where: short stacking energy: -34.596
Base-Backbone interact. energy: 0.665
local terms energy: -54.591486
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -94.778815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.778815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.778815 (E_RNA)
where:
Base-Base interactions energy: -37.265
where: short stacking energy: -22.313
Base-Backbone interact. energy: -0.170
local terms energy: -57.343795
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -81.667709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.667709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.667709 (E_RNA)
where:
Base-Base interactions energy: -36.179
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.424
local terms energy: -45.064399
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: 1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -76.477236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.477236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.477236 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -29.843
Base-Backbone interact. energy: -0.912
local terms energy: -40.526558
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -1.424
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -214.940665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.940665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.940665 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.014
local terms energy: -80.235050
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -214.696801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.696801 (E_RNA)
where:
Base-Base interactions energy: -133.205
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.758
local terms energy: -80.733024
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -182.007808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.007808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.007808 (E_RNA)
where:
Base-Base interactions energy: -110.864
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.885
local terms energy: -70.258345
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -120.134292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.134292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.134292 (E_RNA)
where:
Base-Base interactions energy: -52.413
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.092
local terms energy: -67.629128
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -10.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -170.158179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.158179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.158179 (E_RNA)
where:
Base-Base interactions energy: -98.138
where: short stacking energy: -44.023
Base-Backbone interact. energy: -0.859
local terms energy: -71.160938
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -104.109308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.109308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.109308 (E_RNA)
where:
Base-Base interactions energy: -46.462
where: short stacking energy: -43.119
Base-Backbone interact. energy: 0.293
local terms energy: -57.940356
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -88.268282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.268282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.268282 (E_RNA)
where:
Base-Base interactions energy: -36.000
where: short stacking energy: -25.109
Base-Backbone interact. energy: -0.328
local terms energy: -51.940585
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -86.068987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.068987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.068987 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.564
local terms energy: -53.476975
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -80.452648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.452648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.452648 (E_RNA)
where:
Base-Base interactions energy: -26.318
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.295
local terms energy: -53.839589
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: 3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -82.001487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.001487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.001487 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -28.348
Base-Backbone interact. energy: 0.016
local terms energy: -47.765323
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -223.274149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.274149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.274149 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.536
local terms energy: -79.508053
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -212.721385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.721385 (E_RNA)
where:
Base-Base interactions energy: -136.012
where: short stacking energy: -72.688
Base-Backbone interact. energy: -0.008
local terms energy: -76.701528
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -187.663483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.663483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.663483 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.839
local terms energy: -72.960721
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -114.114334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.114334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.114334 (E_RNA)
where:
Base-Base interactions energy: -58.347
where: short stacking energy: -41.967
Base-Backbone interact. energy: 0.406
local terms energy: -56.172958
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -208.901328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.901328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.901328 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.088
local terms energy: -70.034578
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -100.398200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.398200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.398200 (E_RNA)
where:
Base-Base interactions energy: -37.456
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.088
local terms energy: -62.853949
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -92.269793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.269793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.269793 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -18.281
Base-Backbone interact. energy: -0.735
local terms energy: -53.547613
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: 1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -83.389457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.389457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.389457 (E_RNA)
where:
Base-Base interactions energy: -27.781
where: short stacking energy: -26.135
Base-Backbone interact. energy: -0.609
local terms energy: -54.999925
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -87.355579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.355579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.355579 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.004
local terms energy: -56.757276
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -87.729735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729735 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -36.012
Base-Backbone interact. energy: -0.514
local terms energy: -46.156521
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -218.568607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.568607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.568607 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.169
local terms energy: -83.491586
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -218.315314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315314 (E_RNA)
where:
Base-Base interactions energy: -143.888
where: short stacking energy: -63.712
Base-Backbone interact. energy: -0.006
local terms energy: -74.421540
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -183.387973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.387973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.387973 (E_RNA)
where:
Base-Base interactions energy: -113.083
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.978
local terms energy: -69.326802
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -207.569300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.569300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.569300 (E_RNA)
where:
Base-Base interactions energy: -136.002
where: short stacking energy: -60.677
Base-Backbone interact. energy: -0.091
local terms energy: -71.477145
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -107.547516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.547516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.547516 (E_RNA)
where:
Base-Base interactions energy: -57.820
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.064
local terms energy: -49.663182
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -114.766487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.766487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.766487 (E_RNA)
where:
Base-Base interactions energy: -49.732
where: short stacking energy: -46.731
Base-Backbone interact. energy: -0.099
local terms energy: -64.935049
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -94.437930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.437930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.437930 (E_RNA)
where:
Base-Base interactions energy: -36.749
where: short stacking energy: -29.260
Base-Backbone interact. energy: 0.573
local terms energy: -58.262037
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -93.346583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.346583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.346583 (E_RNA)
where:
Base-Base interactions energy: -53.330
where: short stacking energy: -33.880
Base-Backbone interact. energy: -1.432
local terms energy: -38.584534
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -3.664
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -80.597628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.597628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.597628 (E_RNA)
where:
Base-Base interactions energy: -30.289
where: short stacking energy: -27.684
Base-Backbone interact. energy: -0.604
local terms energy: -49.705075
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -76.143020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143020 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -24.104
Base-Backbone interact. energy: 0.983
local terms energy: -49.461574
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -222.635752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.635752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.635752 (E_RNA)
where:
Base-Base interactions energy: -140.768
where: short stacking energy: -67.623
Base-Backbone interact. energy: -0.009
local terms energy: -81.859347
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -216.771839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771839 (E_RNA)
where:
Base-Base interactions energy: -139.457
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.726
local terms energy: -76.589181
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -210.608099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.608099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.608099 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.197
local terms energy: -72.290212
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -184.397901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.397901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.397901 (E_RNA)
where:
Base-Base interactions energy: -108.224
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.413
local terms energy: -75.761585
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -107.183292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.183292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.183292 (E_RNA)
where:
Base-Base interactions energy: -39.958
where: short stacking energy: -39.958
Base-Backbone interact. energy: 0.163
local terms energy: -67.388708
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -105.792720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.792720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.792720 (E_RNA)
where:
Base-Base interactions energy: -45.646
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.069
local terms energy: -60.078107
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -90.525753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525753 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -32.303
Base-Backbone interact. energy: -0.313
local terms energy: -54.732999
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -84.027788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.027788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.027788 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -25.183
Base-Backbone interact. energy: -0.270
local terms energy: -46.354992
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -88.885590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.885590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.885590 (E_RNA)
where:
Base-Base interactions energy: -32.164
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.001
local terms energy: -56.719976
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -80.031921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.031921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.031921 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -22.401
Base-Backbone interact. energy: -0.222
local terms energy: -48.166305
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -215.421602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.421602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.421602 (E_RNA)
where:
Base-Base interactions energy: -129.549
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.628
local terms energy: -85.244393
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -212.440140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440140 (E_RNA)
where:
Base-Base interactions energy: -137.494
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.888
local terms energy: -74.057454
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -217.011240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.011240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.011240 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.894
local terms energy: -80.926915
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -184.111830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.111830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.111830 (E_RNA)
where:
Base-Base interactions energy: -113.574
where: short stacking energy: -67.674
Base-Backbone interact. energy: -0.002
local terms energy: -70.536269
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -119.318703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.318703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.318703 (E_RNA)
where:
Base-Base interactions energy: -53.507
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.017
local terms energy: -65.795214
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -106.373473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.373473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.373473 (E_RNA)
where:
Base-Base interactions energy: -40.255
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.085
local terms energy: -66.033676
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -98.849443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.849443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.849443 (E_RNA)
where:
Base-Base interactions energy: -46.335
where: short stacking energy: -46.335
Base-Backbone interact. energy: -0.196
local terms energy: -52.317811
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -101.701682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.701682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.701682 (E_RNA)
where:
Base-Base interactions energy: -30.650
where: short stacking energy: -30.650
Base-Backbone interact. energy: -1.432
local terms energy: -69.619595
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -87.978923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.978923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.978923 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.171
local terms energy: -49.433293
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -79.886859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.886859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.886859 (E_RNA)
where:
Base-Base interactions energy: -21.580
where: short stacking energy: -15.506
Base-Backbone interact. energy: -0.045
local terms energy: -58.261489
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -223.776631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.776631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776631 (E_RNA)
where:
Base-Base interactions energy: -144.723
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.291
local terms energy: -78.763069
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -214.777376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.777376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.777376 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -61.089
Base-Backbone interact. energy: -0.007
local terms energy: -79.713125
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -192.163589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.163589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.163589 (E_RNA)
where:
Base-Base interactions energy: -128.416
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.095
local terms energy: -63.653445
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -208.627904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.627904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.627904 (E_RNA)
where:
Base-Base interactions energy: -134.157
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.024
local terms energy: -74.447551
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -112.766903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.766903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.766903 (E_RNA)
where:
Base-Base interactions energy: -44.483
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.112
local terms energy: -68.171817
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -96.724808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.724808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.724808 (E_RNA)
where:
Base-Base interactions energy: -37.784
where: short stacking energy: -35.737
Base-Backbone interact. energy: -0.007
local terms energy: -58.934464
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -98.597217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.597217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.597217 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.244
local terms energy: -55.010366
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -99.571901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.571901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.571901 (E_RNA)
where:
Base-Base interactions energy: -41.103
where: short stacking energy: -37.725
Base-Backbone interact. energy: -0.700
local terms energy: -57.768702
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -102.786728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.786728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.786728 (E_RNA)
where:
Base-Base interactions energy: -44.876
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.228
local terms energy: -57.682879
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -79.121271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.121271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.121271 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -29.048
Base-Backbone interact. energy: 0.594
local terms energy: -43.379686
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -7.323
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -227.405735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.405735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.405735 (E_RNA)
where:
Base-Base interactions energy: -144.529
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.010
local terms energy: -82.866562
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -222.325002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.325002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.325002 (E_RNA)
where:
Base-Base interactions energy: -146.821
where: short stacking energy: -56.691
Base-Backbone interact. energy: -1.221
local terms energy: -74.283513
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -196.335602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.335602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.335602 (E_RNA)
where:
Base-Base interactions energy: -124.450
where: short stacking energy: -57.160
Base-Backbone interact. energy: -0.769
local terms energy: -71.116699
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -199.393333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.393333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.393333 (E_RNA)
where:
Base-Base interactions energy: -123.622
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.275
local terms energy: -75.495846
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -105.818134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.818134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.818134 (E_RNA)
where:
Base-Base interactions energy: -47.782
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.033
local terms energy: -58.002862
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -102.120075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.120075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.120075 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -37.560
Base-Backbone interact. energy: -0.096
local terms energy: -64.463648
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -109.180020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.180020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.180020 (E_RNA)
where:
Base-Base interactions energy: -54.991
where: short stacking energy: -54.991
Base-Backbone interact. energy: 0.642
local terms energy: -54.830490
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -90.629921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.629921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.629921 (E_RNA)
where:
Base-Base interactions energy: -35.016
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.103
local terms energy: -55.511326
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -80.072770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.072770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.072770 (E_RNA)
where:
Base-Base interactions energy: -21.593
where: short stacking energy: -21.593
Base-Backbone interact. energy: 1.426
local terms energy: -59.905242
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -83.921704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.921704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.921704 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -27.512
Base-Backbone interact. energy: -0.286
local terms energy: -44.954488
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -224.255446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.255446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.255446 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -70.566
Base-Backbone interact. energy: -1.175
local terms energy: -82.865265
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -214.029523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.029523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.029523 (E_RNA)
where:
Base-Base interactions energy: -142.323
where: short stacking energy: -55.432
Base-Backbone interact. energy: -0.176
local terms energy: -71.531297
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -203.544581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.544581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.544581 (E_RNA)
where:
Base-Base interactions energy: -123.321
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.372
local terms energy: -79.851577
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -182.172546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.172546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.172546 (E_RNA)
where:
Base-Base interactions energy: -119.412
where: short stacking energy: -59.293
Base-Backbone interact. energy: -0.645
local terms energy: -62.116043
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -108.420273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.420273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.420273 (E_RNA)
where:
Base-Base interactions energy: -39.982
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.093
local terms energy: -68.345079
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -107.066924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.066924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.066924 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -35.479
Base-Backbone interact. energy: -0.401
local terms energy: -63.223375
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -95.635945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.635945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.635945 (E_RNA)
where:
Base-Base interactions energy: -38.391
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.069
local terms energy: -57.175348
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -87.597999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.597999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.597999 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -31.152
Base-Backbone interact. energy: 1.499
local terms energy: -47.625812
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -82.989204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.989204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.989204 (E_RNA)
where:
Base-Base interactions energy: -42.181
where: short stacking energy: -30.229
Base-Backbone interact. energy: 0.378
local terms energy: -41.186297
where:
bonds (distance) C4'-P energy: -5.850
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -82.961775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.961775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.961775 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.663
local terms energy: -47.120545
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -227.641154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.641154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.641154 (E_RNA)
where:
Base-Base interactions energy: -146.569
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.343
local terms energy: -80.728799
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -224.706882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.706882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.706882 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -67.785
Base-Backbone interact. energy: -1.015
local terms energy: -79.218141
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -199.627622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.627622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.627622 (E_RNA)
where:
Base-Base interactions energy: -119.745
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.120
local terms energy: -79.761897
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -161.267946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.267946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.267946 (E_RNA)
where:
Base-Base interactions energy: -94.952
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.417
local terms energy: -65.899330
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -105.202862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.202862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.202862 (E_RNA)
where:
Base-Base interactions energy: -48.988
where: short stacking energy: -37.401
Base-Backbone interact. energy: -0.002
local terms energy: -56.212641
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -105.719440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.719440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.719440 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -35.139
Base-Backbone interact. energy: -0.046
local terms energy: -64.442969
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -94.807135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.807135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.807135 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -40.060
Base-Backbone interact. energy: -0.267
local terms energy: -51.833840
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -80.935816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935816 (E_RNA)
where:
Base-Base interactions energy: -31.388
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.028
local terms energy: -49.520621
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.208645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.208645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.208645 (E_RNA)
where:
Base-Base interactions energy: -33.531
where: short stacking energy: -33.531
Base-Backbone interact. energy: -0.117
local terms energy: -50.560405
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -77.504832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.504832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.504832 (E_RNA)
where:
Base-Base interactions energy: -27.412
where: short stacking energy: -27.412
Base-Backbone interact. energy: -0.052
local terms energy: -50.040864
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -220.609411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.609411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.609411 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.258
local terms energy: -79.034501
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -217.788058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.788058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.788058 (E_RNA)
where:
Base-Base interactions energy: -137.265
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.098
local terms energy: -80.425918
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -201.907736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.907736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.907736 (E_RNA)
where:
Base-Base interactions energy: -128.967
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.384
local terms energy: -72.556879
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -161.818238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.818238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.818238 (E_RNA)
where:
Base-Base interactions energy: -88.408
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.129
local terms energy: -73.280324
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -107.079026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.079026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.079026 (E_RNA)
where:
Base-Base interactions energy: -41.891
where: short stacking energy: -41.820
Base-Backbone interact. energy: -0.017
local terms energy: -65.170625
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -95.048644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.048644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.048644 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -25.694
Base-Backbone interact. energy: -0.137
local terms energy: -52.849351
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -91.931882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.931882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.931882 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -40.242
Base-Backbone interact. energy: 1.120
local terms energy: -52.551817
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -86.089218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.089218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.089218 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -26.586
Base-Backbone interact. energy: -0.671
local terms energy: -51.712640
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -86.711876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711876 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.580
local terms energy: -53.733051
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -90.740059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.740059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.740059 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.013
local terms energy: -58.725225
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -223.375936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.375936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375936 (E_RNA)
where:
Base-Base interactions energy: -141.934
where: short stacking energy: -70.673
Base-Backbone interact. energy: -0.053
local terms energy: -81.388027
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -204.521399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.521399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.521399 (E_RNA)
where:
Base-Base interactions energy: -125.912
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.317
local terms energy: -78.292804
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -221.756495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.756495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.756495 (E_RNA)
where:
Base-Base interactions energy: -143.288
where: short stacking energy: -65.711
Base-Backbone interact. energy: -0.102
local terms energy: -78.366218
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -209.835981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.835981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.835981 (E_RNA)
where:
Base-Base interactions energy: -125.025
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.023
local terms energy: -84.788032
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -108.992974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.992974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.992974 (E_RNA)
where:
Base-Base interactions energy: -47.610
where: short stacking energy: -46.661
Base-Backbone interact. energy: -0.022
local terms energy: -61.360921
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -95.917502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.917502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.917502 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.013
local terms energy: -56.628853
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -100.984059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.984059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.984059 (E_RNA)
where:
Base-Base interactions energy: -37.378
where: short stacking energy: -34.933
Base-Backbone interact. energy: -1.353
local terms energy: -62.252388
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -87.864489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864489 (E_RNA)
where:
Base-Base interactions energy: -30.288
where: short stacking energy: -30.288
Base-Backbone interact. energy: 0.899
local terms energy: -58.475476
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -77.158640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.158640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.158640 (E_RNA)
where:
Base-Base interactions energy: -34.431
where: short stacking energy: -25.488
Base-Backbone interact. energy: 0.565
local terms energy: -43.293012
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -87.320501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.320501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.320501 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -32.469
Base-Backbone interact. energy: -0.205
local terms energy: -53.846445
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -219.212451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.212451 (E_RNA)
where:
Base-Base interactions energy: -148.851
where: short stacking energy: -65.019
Base-Backbone interact. energy: -0.011
local terms energy: -70.349946
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -211.447233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.447233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.447233 (E_RNA)
where:
Base-Base interactions energy: -132.792
where: short stacking energy: -60.309
Base-Backbone interact. energy: -0.784
local terms energy: -77.871176
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -213.941119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.941119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941119 (E_RNA)
where:
Base-Base interactions energy: -143.090
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.236
local terms energy: -70.614964
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -210.568095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.568095 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.104
local terms energy: -80.553238
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -107.668487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.668487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.668487 (E_RNA)
where:
Base-Base interactions energy: -48.064
where: short stacking energy: -47.465
Base-Backbone interact. energy: -0.014
local terms energy: -59.590609
where:
bonds (distance) C4'-P energy: -5.694
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -94.218174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.218174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.218174 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -37.586
Base-Backbone interact. energy: -0.860
local terms energy: -55.198843
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -90.614910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.614910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.614910 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.084
local terms energy: -59.503823
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -95.029036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029036 (E_RNA)
where:
Base-Base interactions energy: -43.569
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.329
local terms energy: -51.131327
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -91.460259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.460259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.460259 (E_RNA)
where:
Base-Base interactions energy: -35.689
where: short stacking energy: -35.689
Base-Backbone interact. energy: -0.075
local terms energy: -55.696746
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -75.458367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.458367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.458367 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -16.064
Base-Backbone interact. energy: -0.035
local terms energy: -42.866394
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -222.229843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.229843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.229843 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.007
local terms energy: -81.554860
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -209.975637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.975637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.975637 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -63.450
Base-Backbone interact. energy: -1.158
local terms energy: -74.665213
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -205.689342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.689342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.689342 (E_RNA)
where:
Base-Base interactions energy: -124.679
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.011
local terms energy: -80.998908
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -211.816449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.816449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.816449 (E_RNA)
where:
Base-Base interactions energy: -132.211
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.002
local terms energy: -79.603510
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -118.695705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.695705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.695705 (E_RNA)
where:
Base-Base interactions energy: -68.975
where: short stacking energy: -38.214
Base-Backbone interact. energy: -0.162
local terms energy: -49.559593
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -5.602
flat angles P-C4'-P energy: -1.267
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -93.032291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.032291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.032291 (E_RNA)
where:
Base-Base interactions energy: -29.387
where: short stacking energy: -29.387
Base-Backbone interact. energy: -0.155
local terms energy: -63.490901
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -106.105565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.105565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.105565 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.095
local terms energy: -62.036623
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -86.575200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.575200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.575200 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.768
local terms energy: -43.509710
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -81.250018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.250018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.250018 (E_RNA)
where:
Base-Base interactions energy: -30.095
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.081
local terms energy: -51.073857
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -4.327
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -78.981563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.981563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.981563 (E_RNA)
where:
Base-Base interactions energy: -20.098
where: short stacking energy: -19.004
Base-Backbone interact. energy: 0.004
local terms energy: -58.887921
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -224.402743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.402743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.402743 (E_RNA)
where:
Base-Base interactions energy: -140.985
where: short stacking energy: -63.780
Base-Backbone interact. energy: -0.078
local terms energy: -83.339615
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -219.237067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.237067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.237067 (E_RNA)
where:
Base-Base interactions energy: -135.794
where: short stacking energy: -67.995
Base-Backbone interact. energy: 0.174
local terms energy: -83.617197
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -205.720191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.720191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.720191 (E_RNA)
where:
Base-Base interactions energy: -131.485
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.000
local terms energy: -74.234971
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -210.764721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.764721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.764721 (E_RNA)
where:
Base-Base interactions energy: -136.890
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.004
local terms energy: -73.871420
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -119.595337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.595337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.595337 (E_RNA)
where:
Base-Base interactions energy: -61.924
where: short stacking energy: -48.175
Base-Backbone interact. energy: 0.271
local terms energy: -57.942483
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -97.151381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.151381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.151381 (E_RNA)
where:
Base-Base interactions energy: -38.814
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.754
local terms energy: -57.583486
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -101.409123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.409123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.409123 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -35.311
Base-Backbone interact. energy: -2.732
local terms energy: -56.774653
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -84.579631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579631 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.260
local terms energy: -41.499483
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: 4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -79.552012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.552012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.552012 (E_RNA)
where:
Base-Base interactions energy: -20.097
where: short stacking energy: -19.821
Base-Backbone interact. energy: -0.053
local terms energy: -59.402043
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -88.485987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485987 (E_RNA)
where:
Base-Base interactions energy: -40.626
where: short stacking energy: -31.766
Base-Backbone interact. energy: 0.452
local terms energy: -48.311929
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -223.391170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.391170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391170 (E_RNA)
where:
Base-Base interactions energy: -141.322
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.475
local terms energy: -81.594281
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -207.961632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.961632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.961632 (E_RNA)
where:
Base-Base interactions energy: -131.226
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.948
local terms energy: -75.788339
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -208.042450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.042450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.042450 (E_RNA)
where:
Base-Base interactions energy: -124.524
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.180
local terms energy: -83.338076
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -201.381863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.381863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.381863 (E_RNA)
where:
Base-Base interactions energy: -129.176
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.052
local terms energy: -72.153477
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -103.697306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.697306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.697306 (E_RNA)
where:
Base-Base interactions energy: -52.885
where: short stacking energy: -42.677
Base-Backbone interact. energy: -1.206
local terms energy: -49.605907
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -99.199020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.199020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.199020 (E_RNA)
where:
Base-Base interactions energy: -42.345
where: short stacking energy: -42.183
Base-Backbone interact. energy: -0.229
local terms energy: -56.624697
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -86.864551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.864551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.864551 (E_RNA)
where:
Base-Base interactions energy: -40.610
where: short stacking energy: -30.676
Base-Backbone interact. energy: 0.186
local terms energy: -46.440615
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.483691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.483691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.483691 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -34.436
Base-Backbone interact. energy: -0.209
local terms energy: -58.039027
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -92.688812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.688812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.688812 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -35.971
Base-Backbone interact. energy: -0.236
local terms energy: -52.818077
where:
bonds (distance) C4'-P energy: -8.193
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -84.067448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067448 (E_RNA)
where:
Base-Base interactions energy: -27.340
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.450
local terms energy: -56.277114
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -220.580108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.580108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.580108 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -71.044
Base-Backbone interact. energy: 1.917
local terms energy: -83.401120
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -216.895726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895726 (E_RNA)
where:
Base-Base interactions energy: -132.746
where: short stacking energy: -65.171
Base-Backbone interact. energy: 0.625
local terms energy: -84.775031
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -213.504208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.504208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.504208 (E_RNA)
where:
Base-Base interactions energy: -132.319
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.140
local terms energy: -81.044898
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -194.691751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.691751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.691751 (E_RNA)
where:
Base-Base interactions energy: -126.373
where: short stacking energy: -47.723
Base-Backbone interact. energy: -0.081
local terms energy: -68.237983
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -105.252119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.252119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.252119 (E_RNA)
where:
Base-Base interactions energy: -38.716
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.031
local terms energy: -66.504868
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -99.335201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.335201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.335201 (E_RNA)
where:
Base-Base interactions energy: -48.745
where: short stacking energy: -41.003
Base-Backbone interact. energy: -0.735
local terms energy: -49.855116
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -88.431860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.431860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.431860 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.001
local terms energy: -55.408162
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -7.486
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -89.646123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646123 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -35.250
Base-Backbone interact. energy: 1.800
local terms energy: -55.091977
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -94.462351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.462351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.462351 (E_RNA)
where:
Base-Base interactions energy: -44.305
where: short stacking energy: -42.455
Base-Backbone interact. energy: -0.051
local terms energy: -50.107003
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -80.529559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529559 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -27.492
Base-Backbone interact. energy: -0.500
local terms energy: -42.132901
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -220.295839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.295839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.295839 (E_RNA)
where:
Base-Base interactions energy: -137.226
where: short stacking energy: -64.637
Base-Backbone interact. energy: 0.062
local terms energy: -83.131052
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -216.923307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.923307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.923307 (E_RNA)
where:
Base-Base interactions energy: -136.215
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.010
local terms energy: -80.697769
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -206.072071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.072071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.072071 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -56.674
Base-Backbone interact. energy: -0.103
local terms energy: -79.592150
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -208.802676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.802676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.802676 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.590
local terms energy: -80.533254
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -110.719975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.719975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.719975 (E_RNA)
where:
Base-Base interactions energy: -48.148
where: short stacking energy: -46.732
Base-Backbone interact. energy: -0.226
local terms energy: -62.346118
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -106.887687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.887687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.887687 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -42.113
Base-Backbone interact. energy: -0.105
local terms energy: -64.669619
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -104.774267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.774267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.774267 (E_RNA)
where:
Base-Base interactions energy: -41.045
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.102
local terms energy: -63.628149
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -84.855630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.855630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.855630 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.266
local terms energy: -47.853685
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -83.479088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479088 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.388
local terms energy: -51.443380
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -82.471384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471384 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.095
local terms energy: -52.239933
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -222.570843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.570843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.570843 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.225
local terms energy: -77.662957
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -215.192079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.192079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192079 (E_RNA)
where:
Base-Base interactions energy: -143.081
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.024
local terms energy: -72.087323
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -206.764831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.764831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.764831 (E_RNA)
where:
Base-Base interactions energy: -126.550
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.017
local terms energy: -80.197557
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -204.360821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.360821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.360821 (E_RNA)
where:
Base-Base interactions energy: -122.676
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.097
local terms energy: -81.588357
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -120.063300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.063300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.063300 (E_RNA)
where:
Base-Base interactions energy: -66.558
where: short stacking energy: -44.141
Base-Backbone interact. energy: -0.176
local terms energy: -53.329441
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -111.172872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.172872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.172872 (E_RNA)
where:
Base-Base interactions energy: -44.503
where: short stacking energy: -44.503
Base-Backbone interact. energy: -0.075
local terms energy: -66.594927
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -99.697726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.697726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.697726 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -37.693
Base-Backbone interact. energy: 0.570
local terms energy: -60.310975
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -99.447927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.447927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.447927 (E_RNA)
where:
Base-Base interactions energy: -38.019
where: short stacking energy: -37.691
Base-Backbone interact. energy: -0.309
local terms energy: -61.119820
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -84.665779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.665779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.665779 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -25.698
Base-Backbone interact. energy: 0.805
local terms energy: -54.425942
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -85.582565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.582565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.582565 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -27.008
Base-Backbone interact. energy: -0.008
local terms energy: -52.266371
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -218.495198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.495198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.495198 (E_RNA)
where:
Base-Base interactions energy: -130.497
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.623
local terms energy: -87.375534
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -213.934686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.934686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.934686 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.075
local terms energy: -75.268908
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -208.812284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.812284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.812284 (E_RNA)
where:
Base-Base interactions energy: -134.170
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.998
local terms energy: -73.643773
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -202.365206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.365206 (E_RNA)
where:
Base-Base interactions energy: -127.294
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.206
local terms energy: -74.865069
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -109.849496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.849496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.849496 (E_RNA)
where:
Base-Base interactions energy: -44.833
where: short stacking energy: -44.833
Base-Backbone interact. energy: -0.002
local terms energy: -65.014697
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -114.001567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.001567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.001567 (E_RNA)
where:
Base-Base interactions energy: -57.014
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.034
local terms energy: -56.953602
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -95.754156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.754156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.754156 (E_RNA)
where:
Base-Base interactions energy: -38.068
where: short stacking energy: -27.781
Base-Backbone interact. energy: -1.110
local terms energy: -56.575496
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -89.777095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.777095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.777095 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -28.264
Base-Backbone interact. energy: -0.685
local terms energy: -55.205862
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -88.710401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710401 (E_RNA)
where:
Base-Base interactions energy: -38.606
where: short stacking energy: -35.410
Base-Backbone interact. energy: -0.057
local terms energy: -50.046910
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -76.732548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.732548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.732548 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.657
local terms energy: -46.540310
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -221.419901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419901 (E_RNA)
where:
Base-Base interactions energy: -143.038
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.979
local terms energy: -77.403708
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -213.672557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.672557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.672557 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.139
local terms energy: -74.610769
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -203.561154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.561154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.561154 (E_RNA)
where:
Base-Base interactions energy: -127.275
where: short stacking energy: -56.851
Base-Backbone interact. energy: -0.301
local terms energy: -75.984981
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -213.663153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.663153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.663153 (E_RNA)
where:
Base-Base interactions energy: -143.196
where: short stacking energy: -52.191
Base-Backbone interact. energy: -0.489
local terms energy: -69.977643
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -106.875928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.875928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.875928 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.017
local terms energy: -64.574007
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -112.423235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.423235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.423235 (E_RNA)
where:
Base-Base interactions energy: -52.699
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.053
local terms energy: -59.670762
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -120.913368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.913368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.913368 (E_RNA)
where:
Base-Base interactions energy: -57.089
where: short stacking energy: -33.053
Base-Backbone interact. energy: -0.448
local terms energy: -63.375398
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -83.616321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.616321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.616321 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -35.839
Base-Backbone interact. energy: -0.006
local terms energy: -47.771710
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -7.198
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -77.104274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.104274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.104274 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -28.992
Base-Backbone interact. energy: 0.067
local terms energy: -48.179751
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.983788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.983788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.983788 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -32.565
Base-Backbone interact. energy: 0.059
local terms energy: -45.922729
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -216.711188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.711188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.711188 (E_RNA)
where:
Base-Base interactions energy: -137.379
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.700
local terms energy: -78.632034
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -216.934193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.934193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.934193 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.331
local terms energy: -82.646333
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -206.653777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.653777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653777 (E_RNA)
where:
Base-Base interactions energy: -131.997
where: short stacking energy: -68.858
Base-Backbone interact. energy: -0.041
local terms energy: -74.616136
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -205.233305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.233305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.233305 (E_RNA)
where:
Base-Base interactions energy: -132.803
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.212
local terms energy: -72.218748
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -113.205841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.205841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.205841 (E_RNA)
where:
Base-Base interactions energy: -53.225
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.124
local terms energy: -59.857264
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -108.603148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.603148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.603148 (E_RNA)
where:
Base-Base interactions energy: -56.642
where: short stacking energy: -34.367
Base-Backbone interact. energy: 0.419
local terms energy: -52.379415
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -91.097958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097958 (E_RNA)
where:
Base-Base interactions energy: -34.850
where: short stacking energy: -34.381
Base-Backbone interact. energy: -0.278
local terms energy: -55.970545
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -91.910747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.910747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.910747 (E_RNA)
where:
Base-Base interactions energy: -35.891
where: short stacking energy: -35.891
Base-Backbone interact. energy: -0.014
local terms energy: -56.005127
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -81.227938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227938 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -27.105
Base-Backbone interact. energy: 0.979
local terms energy: -51.321373
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -84.926944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926944 (E_RNA)
where:
Base-Base interactions energy: -25.998
where: short stacking energy: -23.864
Base-Backbone interact. energy: -0.093
local terms energy: -58.836331
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -215.499042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.499042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.499042 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -65.277
Base-Backbone interact. energy: 1.317
local terms energy: -80.955033
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -215.918655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.918655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.918655 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.033
local terms energy: -79.610702
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -215.863372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.863372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.863372 (E_RNA)
where:
Base-Base interactions energy: -140.179
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.098
local terms energy: -75.585840
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -206.397244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.397244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.397244 (E_RNA)
where:
Base-Base interactions energy: -126.481
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.004
local terms energy: -79.912235
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -115.586208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.586208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.586208 (E_RNA)
where:
Base-Base interactions energy: -60.107
where: short stacking energy: -27.484
Base-Backbone interact. energy: -0.757
local terms energy: -54.722126
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -103.898529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.898529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.898529 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -45.537
Base-Backbone interact. energy: -0.085
local terms energy: -57.346626
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -99.104429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.104429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.104429 (E_RNA)
where:
Base-Base interactions energy: -39.878
where: short stacking energy: -38.424
Base-Backbone interact. energy: 1.351
local terms energy: -60.577655
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -93.957794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.957794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.957794 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -35.349
Base-Backbone interact. energy: -0.044
local terms energy: -58.564338
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -86.148916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148916 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -31.126
Base-Backbone interact. energy: -0.936
local terms energy: -47.332398
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -73.538814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.538814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.538814 (E_RNA)
where:
Base-Base interactions energy: -20.923
where: short stacking energy: -20.923
Base-Backbone interact. energy: -1.143
local terms energy: -51.472656
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -217.827482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.827482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.827482 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.089
local terms energy: -83.467572
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -220.660669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660669 (E_RNA)
where:
Base-Base interactions energy: -136.135
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.438
local terms energy: -84.087201
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -217.352473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.352473 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.042
local terms energy: -83.877975
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -191.247595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.247595 (E_RNA)
where:
Base-Base interactions energy: -126.101
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.129
local terms energy: -65.016989
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -106.502191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.502191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.502191 (E_RNA)
where:
Base-Base interactions energy: -48.520
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.974
local terms energy: -57.008265
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -90.999057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999057 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.024
local terms energy: -50.806234
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -92.784260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.784260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.784260 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -40.109
Base-Backbone interact. energy: 0.088
local terms energy: -50.915270
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -93.128858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.128858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.128858 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -29.210
Base-Backbone interact. energy: 0.942
local terms energy: -63.291942
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -85.379846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379846 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -31.078
Base-Backbone interact. energy: -0.197
local terms energy: -47.753786
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -98.818962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.818962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.818962 (E_RNA)
where:
Base-Base interactions energy: -50.310
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.149
local terms energy: -48.360645
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -221.415240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.415240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.415240 (E_RNA)
where:
Base-Base interactions energy: -143.772
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.191
local terms energy: -77.452230
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -217.419875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.419875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.419875 (E_RNA)
where:
Base-Base interactions energy: -135.341
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.026
local terms energy: -82.052135
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -209.890840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.890840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.890840 (E_RNA)
where:
Base-Base interactions energy: -131.014
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.641
local terms energy: -78.235664
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -202.483539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.483539 (E_RNA)
where:
Base-Base interactions energy: -135.754
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.053
local terms energy: -66.676635
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -120.467937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.467937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.467937 (E_RNA)
where:
Base-Base interactions energy: -54.702
where: short stacking energy: -46.464
Base-Backbone interact. energy: -0.058
local terms energy: -65.707812
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -118.934913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.934913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.934913 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -44.473
Base-Backbone interact. energy: 2.444
local terms energy: -59.482338
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -127.025635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.025635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.025635 (E_RNA)
where:
Base-Base interactions energy: -70.183
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.142
local terms energy: -56.700623
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -97.770598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.770598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.770598 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.046
local terms energy: -62.819788
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -80.706141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.706141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.706141 (E_RNA)
where:
Base-Base interactions energy: -34.521
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.056
local terms energy: -46.128804
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -1.367
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.739867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.739867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.739867 (E_RNA)
where:
Base-Base interactions energy: -31.688
where: short stacking energy: -19.466
Base-Backbone interact. energy: -0.112
local terms energy: -45.939950
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -219.382019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.382019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.382019 (E_RNA)
where:
Base-Base interactions energy: -133.078
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.243
local terms energy: -86.060773
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -202.899273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.899273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.899273 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.002
local terms energy: -71.278899
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -208.654353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.654353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.654353 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.006
local terms energy: -80.252775
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -200.146013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.146013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.146013 (E_RNA)
where:
Base-Base interactions energy: -131.178
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.057
local terms energy: -68.911493
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -106.717775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.717775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.717775 (E_RNA)
where:
Base-Base interactions energy: -46.809
where: short stacking energy: -44.618
Base-Backbone interact. energy: -0.163
local terms energy: -59.745957
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -144.251709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.251709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.251709 (E_RNA)
where:
Base-Base interactions energy: -86.113
where: short stacking energy: -50.487
Base-Backbone interact. energy: -0.067
local terms energy: -58.071432
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -98.827211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.827211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.827211 (E_RNA)
where:
Base-Base interactions energy: -43.174
where: short stacking energy: -38.233
Base-Backbone interact. energy: 0.702
local terms energy: -56.354988
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -82.312729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.312729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.312729 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -35.429
Base-Backbone interact. energy: -0.300
local terms energy: -46.583757
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -71.930899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.930899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.930899 (E_RNA)
where:
Base-Base interactions energy: -24.045
where: short stacking energy: -17.529
Base-Backbone interact. energy: -1.304
local terms energy: -46.581900
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -83.783765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.783765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.783765 (E_RNA)
where:
Base-Base interactions energy: -44.507
where: short stacking energy: -28.108
Base-Backbone interact. energy: 2.411
local terms energy: -41.687674
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -7.440
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -223.807617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.807617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.807617 (E_RNA)
where:
Base-Base interactions energy: -144.010
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.123
local terms energy: -79.674654
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -221.846629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.846629 (E_RNA)
where:
Base-Base interactions energy: -138.907
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.007
local terms energy: -82.932546
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -216.601423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.601423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.601423 (E_RNA)
where:
Base-Base interactions energy: -133.130
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.014
local terms energy: -83.456744
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -201.195509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.195509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.195509 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -53.830
Base-Backbone interact. energy: 0.309
local terms energy: -76.453364
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -162.820000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.820000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.820000 (E_RNA)
where:
Base-Base interactions energy: -95.248
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.006
local terms energy: -67.565594
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -105.918473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.918473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.918473 (E_RNA)
where:
Base-Base interactions energy: -46.580
where: short stacking energy: -46.012
Base-Backbone interact. energy: -0.005
local terms energy: -59.333862
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -88.128625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128625 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.127
local terms energy: -58.378130
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -83.357424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357424 (E_RNA)
where:
Base-Base interactions energy: -33.758
where: short stacking energy: -33.653
Base-Backbone interact. energy: 0.458
local terms energy: -50.058148
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -81.055469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.055469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.055469 (E_RNA)
where:
Base-Base interactions energy: -28.887
where: short stacking energy: -23.729
Base-Backbone interact. energy: -2.033
local terms energy: -50.134714
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.754228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754228 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -21.332
Base-Backbone interact. energy: -0.391
local terms energy: -47.961006
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -218.270757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.270757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.270757 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.097
local terms energy: -75.798428
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -217.886196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.886196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.886196 (E_RNA)
where:
Base-Base interactions energy: -131.556
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.686
local terms energy: -85.644626
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -196.839823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.839823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.839823 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -51.308
Base-Backbone interact. energy: -1.088
local terms energy: -70.737006
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -201.269095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.269095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.269095 (E_RNA)
where:
Base-Base interactions energy: -134.277
where: short stacking energy: -53.920
Base-Backbone interact. energy: -0.250
local terms energy: -66.742245
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -4.316
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -154.705671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.705671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.705671 (E_RNA)
where:
Base-Base interactions energy: -84.943
where: short stacking energy: -47.287
Base-Backbone interact. energy: -1.349
local terms energy: -68.413245
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -101.971418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.971418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.971418 (E_RNA)
where:
Base-Base interactions energy: -45.373
where: short stacking energy: -45.219
Base-Backbone interact. energy: -0.437
local terms energy: -56.161010
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -96.816190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.816190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.816190 (E_RNA)
where:
Base-Base interactions energy: -39.832
where: short stacking energy: -39.832
Base-Backbone interact. energy: -0.078
local terms energy: -56.906402
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -96.687412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.687412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.687412 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.061
local terms energy: -56.763927
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -82.897615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.897615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.897615 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.101
local terms energy: -50.591255
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -72.189328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.189328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.189328 (E_RNA)
where:
Base-Base interactions energy: -30.820
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.180
local terms energy: -41.189385
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: 4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -226.076448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.076448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.076448 (E_RNA)
where:
Base-Base interactions energy: -144.124
where: short stacking energy: -74.641
Base-Backbone interact. energy: 0.714
local terms energy: -82.667244
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -217.173199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.173199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.173199 (E_RNA)
where:
Base-Base interactions energy: -141.437
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.224
local terms energy: -75.512262
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -202.158333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.158333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.158333 (E_RNA)
where:
Base-Base interactions energy: -127.128
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.634
local terms energy: -74.396703
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -199.871451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.871451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.871451 (E_RNA)
where:
Base-Base interactions energy: -131.059
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.268
local terms energy: -68.544724
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -163.799527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.799527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.799527 (E_RNA)
where:
Base-Base interactions energy: -95.751
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.921
local terms energy: -67.128378
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -104.305584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.305584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.305584 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -39.625
Base-Backbone interact. energy: 0.646
local terms energy: -63.836503
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -91.293974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.293974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.293974 (E_RNA)
where:
Base-Base interactions energy: -33.635
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.007
local terms energy: -57.652285
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -97.086176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.086176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.086176 (E_RNA)
where:
Base-Base interactions energy: -46.965
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.780
local terms energy: -49.340574
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.748204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748204 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -29.561
Base-Backbone interact. energy: -0.138
local terms energy: -43.703787
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -4.033
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -73.883733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.883733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.883733 (E_RNA)
where:
Base-Base interactions energy: -22.545
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.071
local terms energy: -51.268688
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -219.369634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.369634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.369634 (E_RNA)
where:
Base-Base interactions energy: -137.581
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.103
local terms energy: -81.686395
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -216.292500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.292500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.292500 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -58.941
Base-Backbone interact. energy: -0.016
local terms energy: -75.917066
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -192.758722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.758722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.758722 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.140
local terms energy: -70.101356
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -20.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -211.890752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.890752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.890752 (E_RNA)
where:
Base-Base interactions energy: -137.843
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.019
local terms energy: -74.028542
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -153.272598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.272598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.272598 (E_RNA)
where:
Base-Base interactions energy: -83.566
where: short stacking energy: -38.616
Base-Backbone interact. energy: -2.423
local terms energy: -67.283865
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -101.359142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359142 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -45.858
Base-Backbone interact. energy: 3.407
local terms energy: -57.639085
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -89.068968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.068968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.068968 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.236
local terms energy: -45.898397
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -94.075525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.075525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.075525 (E_RNA)
where:
Base-Base interactions energy: -37.083
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.196
local terms energy: -56.796966
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -86.128169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128169 (E_RNA)
where:
Base-Base interactions energy: -28.409
where: short stacking energy: -27.067
Base-Backbone interact. energy: -0.015
local terms energy: -57.703732
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -85.322644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.322644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.322644 (E_RNA)
where:
Base-Base interactions energy: -33.655
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.189
local terms energy: -51.478563
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -217.476724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.476724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476724 (E_RNA)
where:
Base-Base interactions energy: -139.453
where: short stacking energy: -64.736
Base-Backbone interact. energy: -0.595
local terms energy: -77.428566
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -215.938477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.938477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.938477 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.001
local terms energy: -86.964418
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -211.110899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.110899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.110899 (E_RNA)
where:
Base-Base interactions energy: -135.686
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.696
local terms energy: -74.728736
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -192.261085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.261085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.261085 (E_RNA)
where:
Base-Base interactions energy: -121.034
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.641
local terms energy: -70.585988
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -153.966435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.966435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.966435 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.911
local terms energy: -66.848626
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -93.513025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.513025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.513025 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.753
local terms energy: -58.136831
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -101.936522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.936522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.936522 (E_RNA)
where:
Base-Base interactions energy: -35.827
where: short stacking energy: -34.095
Base-Backbone interact. energy: 0.394
local terms energy: -66.503171
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -89.546425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546425 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.239
local terms energy: -52.640682
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -86.854140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.854140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.854140 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.480
local terms energy: -54.254545
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -91.172303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172303 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -42.338
Base-Backbone interact. energy: -0.212
local terms energy: -48.359936
where:
bonds (distance) C4'-P energy: -6.797
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -221.299580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.299580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.299580 (E_RNA)
where:
Base-Base interactions energy: -142.695
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.125
local terms energy: -78.479455
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -212.336946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336946 (E_RNA)
where:
Base-Base interactions energy: -131.495
where: short stacking energy: -64.614
Base-Backbone interact. energy: 1.174
local terms energy: -82.015281
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -24.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -209.834426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.834426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.834426 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.011
local terms energy: -82.210626
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -204.632929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.632929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.632929 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -56.592
Base-Backbone interact. energy: -0.020
local terms energy: -73.713760
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -150.400984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.400984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.400984 (E_RNA)
where:
Base-Base interactions energy: -90.491
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.433
local terms energy: -59.476325
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -94.826900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.826900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.826900 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.060
local terms energy: -56.981590
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -92.232302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.232302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.232302 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -33.897
Base-Backbone interact. energy: 0.989
local terms energy: -59.324310
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -105.044832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.044832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.044832 (E_RNA)
where:
Base-Base interactions energy: -45.710
where: short stacking energy: -33.132
Base-Backbone interact. energy: -0.064
local terms energy: -59.270660
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -89.371785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.371785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.371785 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.175
local terms energy: -51.120307
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -76.661024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.661024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.661024 (E_RNA)
where:
Base-Base interactions energy: -27.498
where: short stacking energy: -26.865
Base-Backbone interact. energy: -0.430
local terms energy: -48.733084
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -226.057927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.057927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.057927 (E_RNA)
where:
Base-Base interactions energy: -142.113
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.031
local terms energy: -83.913974
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -221.636987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.636987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636987 (E_RNA)
where:
Base-Base interactions energy: -142.941
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.489
local terms energy: -78.206412
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -212.530565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.530565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.530565 (E_RNA)
where:
Base-Base interactions energy: -134.428
where: short stacking energy: -69.671
Base-Backbone interact. energy: 2.172
local terms energy: -80.274593
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -205.870507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.870507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.870507 (E_RNA)
where:
Base-Base interactions energy: -128.700
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.106
local terms energy: -77.064576
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -162.497259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.497259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.497259 (E_RNA)
where:
Base-Base interactions energy: -94.903
where: short stacking energy: -49.768
Base-Backbone interact. energy: -2.077
local terms energy: -65.517288
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -119.610916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.610916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.610916 (E_RNA)
where:
Base-Base interactions energy: -55.874
where: short stacking energy: -49.740
Base-Backbone interact. energy: -0.529
local terms energy: -63.207414
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -99.048087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.048087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.048087 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -32.847
Base-Backbone interact. energy: -0.089
local terms energy: -61.674558
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -105.316788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.316788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.316788 (E_RNA)
where:
Base-Base interactions energy: -42.837
where: short stacking energy: -31.483
Base-Backbone interact. energy: -0.198
local terms energy: -62.281937
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -82.586469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586469 (E_RNA)
where:
Base-Base interactions energy: -29.364
where: short stacking energy: -27.644
Base-Backbone interact. energy: -0.078
local terms energy: -53.144778
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -98.527928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.527928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.527928 (E_RNA)
where:
Base-Base interactions energy: -41.158
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.114
local terms energy: -57.255389
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -226.823168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.823168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.823168 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.078
local terms energy: -81.979293
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -213.335833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.335833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.335833 (E_RNA)
where:
Base-Base interactions energy: -138.430
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.068
local terms energy: -74.837684
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -213.465299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.465299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.465299 (E_RNA)
where:
Base-Base interactions energy: -138.452
where: short stacking energy: -68.343
Base-Backbone interact. energy: -0.286
local terms energy: -74.726915
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -166.400392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.400392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.400392 (E_RNA)
where:
Base-Base interactions energy: -101.369
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.001
local terms energy: -65.030941
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -200.959262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959262 (E_RNA)
where:
Base-Base interactions energy: -123.130
where: short stacking energy: -62.188
Base-Backbone interact. energy: -0.248
local terms energy: -77.581144
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -96.552319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552319 (E_RNA)
where:
Base-Base interactions energy: -36.474
where: short stacking energy: -36.098
Base-Backbone interact. energy: -0.187
local terms energy: -59.891935
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -91.616373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616373 (E_RNA)
where:
Base-Base interactions energy: -35.634
where: short stacking energy: -27.177
Base-Backbone interact. energy: -0.282
local terms energy: -55.699938
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -86.120834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.120834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.120834 (E_RNA)
where:
Base-Base interactions energy: -27.892
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.238
local terms energy: -57.991591
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -77.077121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.077121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.077121 (E_RNA)
where:
Base-Base interactions energy: -27.460
where: short stacking energy: -29.120
Base-Backbone interact. energy: 1.258
local terms energy: -50.875297
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -77.921962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.921962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.921962 (E_RNA)
where:
Base-Base interactions energy: -28.375
where: short stacking energy: -27.390
Base-Backbone interact. energy: -0.410
local terms energy: -49.136225
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -222.296460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.296460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.296460 (E_RNA)
where:
Base-Base interactions energy: -138.632
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.033
local terms energy: -83.631279
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -220.211204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.211204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.211204 (E_RNA)
where:
Base-Base interactions energy: -139.379
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.201
local terms energy: -80.631388
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -168.476334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.476334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.476334 (E_RNA)
where:
Base-Base interactions energy: -97.060
where: short stacking energy: -47.113
Base-Backbone interact. energy: -1.435
local terms energy: -69.980998
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -200.786980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.786980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.786980 (E_RNA)
where:
Base-Base interactions energy: -119.373
where: short stacking energy: -64.111
Base-Backbone interact. energy: 0.479
local terms energy: -81.893027
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -211.874755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.874755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.874755 (E_RNA)
where:
Base-Base interactions energy: -140.689
where: short stacking energy: -62.957
Base-Backbone interact. energy: -0.001
local terms energy: -71.184936
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -104.588045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.588045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.588045 (E_RNA)
where:
Base-Base interactions energy: -48.356
where: short stacking energy: -43.951
Base-Backbone interact. energy: -0.021
local terms energy: -56.210942
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -100.086991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.086991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.086991 (E_RNA)
where:
Base-Base interactions energy: -43.348
where: short stacking energy: -28.539
Base-Backbone interact. energy: -0.726
local terms energy: -56.012668
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -94.958566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.958566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.958566 (E_RNA)
where:
Base-Base interactions energy: -50.268
where: short stacking energy: -39.994
Base-Backbone interact. energy: 0.402
local terms energy: -45.092633
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -84.126807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.126807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.126807 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -28.863
Base-Backbone interact. energy: -0.120
local terms energy: -47.179834
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -87.120425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120425 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -35.329
Base-Backbone interact. energy: -0.055
local terms energy: -51.736544
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -219.787086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.787086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.787086 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.099
local terms energy: -80.763836
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -221.776141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.776141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.776141 (E_RNA)
where:
Base-Base interactions energy: -133.033
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.006
local terms energy: -88.736988
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -183.611360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.611360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.611360 (E_RNA)
where:
Base-Base interactions energy: -110.136
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.525
local terms energy: -72.950537
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -204.785009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.785009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.785009 (E_RNA)
where:
Base-Base interactions energy: -126.438
where: short stacking energy: -55.707
Base-Backbone interact. energy: -1.454
local terms energy: -76.893758
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -192.508621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.508621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.508621 (E_RNA)
where:
Base-Base interactions energy: -121.546
where: short stacking energy: -58.712
Base-Backbone interact. energy: -0.583
local terms energy: -70.379396
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -108.635432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.635432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.635432 (E_RNA)
where:
Base-Base interactions energy: -36.567
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.188
local terms energy: -71.880596
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -102.644493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.644493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.644493 (E_RNA)
where:
Base-Base interactions energy: -47.803
where: short stacking energy: -35.058
Base-Backbone interact. energy: -0.182
local terms energy: -54.659803
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -86.953285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.953285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.953285 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -31.002
Base-Backbone interact. energy: -0.090
local terms energy: -52.332252
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -82.599623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599623 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.130
local terms energy: -52.283799
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -92.651840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.651840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.651840 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.027
local terms energy: -56.177368
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -220.514989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.514989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.514989 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -72.088
Base-Backbone interact. energy: -0.400
local terms energy: -84.461157
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -210.389384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.389384 (E_RNA)
where:
Base-Base interactions energy: -136.313
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.101
local terms energy: -73.975854
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -216.229319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.229319 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -70.015
Base-Backbone interact. energy: -0.297
local terms energy: -74.803744
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -163.032310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.032310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.032310 (E_RNA)
where:
Base-Base interactions energy: -104.188
where: short stacking energy: -44.543
Base-Backbone interact. energy: -0.378
local terms energy: -58.466368
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -194.752980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.752980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.752980 (E_RNA)
where:
Base-Base interactions energy: -129.004
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.001
local terms energy: -65.747918
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -115.611690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.611690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.611690 (E_RNA)
where:
Base-Base interactions energy: -53.001
where: short stacking energy: -43.616
Base-Backbone interact. energy: -0.140
local terms energy: -62.470707
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -90.617054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.617054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.617054 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -30.036
Base-Backbone interact. energy: -0.078
local terms energy: -59.566189
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -92.065550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.065550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.065550 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -34.117
Base-Backbone interact. energy: -0.059
local terms energy: -56.576454
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -90.586303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.586303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.586303 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.138
local terms energy: -51.861960
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -101.720545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.720545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.720545 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.015
local terms energy: -55.914064
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -217.195497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.195497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.195497 (E_RNA)
where:
Base-Base interactions energy: -135.720
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.010
local terms energy: -81.465578
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -214.845240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.845240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.845240 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.011
local terms energy: -76.392121
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -206.340069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.340069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.340069 (E_RNA)
where:
Base-Base interactions energy: -133.178
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.215
local terms energy: -72.946640
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -175.158616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.158616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.158616 (E_RNA)
where:
Base-Base interactions energy: -109.042
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.622
local terms energy: -65.494074
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -164.573471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.573471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.573471 (E_RNA)
where:
Base-Base interactions energy: -96.254
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.124
local terms energy: -68.195028
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -97.019612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.019612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.019612 (E_RNA)
where:
Base-Base interactions energy: -35.981
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.131
local terms energy: -60.907553
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -96.000531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.000531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.000531 (E_RNA)
where:
Base-Base interactions energy: -48.543
where: short stacking energy: -34.301
Base-Backbone interact. energy: 1.920
local terms energy: -49.376791
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -82.027348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.027348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.027348 (E_RNA)
where:
Base-Base interactions energy: -29.402
where: short stacking energy: -19.231
Base-Backbone interact. energy: -0.518
local terms energy: -52.107421
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -85.819006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.819006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.819006 (E_RNA)
where:
Base-Base interactions energy: -26.631
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.221
local terms energy: -58.966859
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -73.312058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.312058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.312058 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.397
local terms energy: -40.645557
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -6.693
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -220.531298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.531298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.531298 (E_RNA)
where:
Base-Base interactions energy: -136.028
where: short stacking energy: -70.565
Base-Backbone interact. energy: 0.326
local terms energy: -84.829310
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -216.760013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.760013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.760013 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.003
local terms energy: -78.495548
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -211.836596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.836596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.836596 (E_RNA)
where:
Base-Base interactions energy: -137.346
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.678
local terms energy: -73.813061
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -166.337781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.337781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.337781 (E_RNA)
where:
Base-Base interactions energy: -90.936
where: short stacking energy: -53.352
Base-Backbone interact. energy: -0.019
local terms energy: -75.382585
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -109.128296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.128296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.128296 (E_RNA)
where:
Base-Base interactions energy: -48.549
where: short stacking energy: -47.073
Base-Backbone interact. energy: 0.397
local terms energy: -60.977169
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -134.175331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.175331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.175331 (E_RNA)
where:
Base-Base interactions energy: -75.454
where: short stacking energy: -47.206
Base-Backbone interact. energy: 0.107
local terms energy: -58.828268
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -92.021450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.021450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.021450 (E_RNA)
where:
Base-Base interactions energy: -40.338
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.105
local terms energy: -51.579357
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -6.305
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -102.049528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.049528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.049528 (E_RNA)
where:
Base-Base interactions energy: -46.687
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.392
local terms energy: -54.970893
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -91.296231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296231 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.027
local terms energy: -51.189790
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -80.769345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.769345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.769345 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.010
local terms energy: -55.211451
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -217.857884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.857884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.857884 (E_RNA)
where:
Base-Base interactions energy: -138.003
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.010
local terms energy: -79.844869
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -217.261380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.261380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261380 (E_RNA)
where:
Base-Base interactions energy: -136.352
where: short stacking energy: -69.889
Base-Backbone interact. energy: -0.007
local terms energy: -80.902585
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -203.444322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.444322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.444322 (E_RNA)
where:
Base-Base interactions energy: -127.865
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.157
local terms energy: -75.421941
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -168.690993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.690993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.690993 (E_RNA)
where:
Base-Base interactions energy: -95.752
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.341
local terms energy: -72.598153
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -103.134489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.134489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.134489 (E_RNA)
where:
Base-Base interactions energy: -45.296
where: short stacking energy: -41.003
Base-Backbone interact. energy: -0.143
local terms energy: -57.695567
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -105.635328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.635328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.635328 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.204
local terms energy: -56.419438
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -135.331827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.331827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.331827 (E_RNA)
where:
Base-Base interactions energy: -72.669
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.353
local terms energy: -62.310104
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -88.394044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.394044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.394044 (E_RNA)
where:
Base-Base interactions energy: -43.383
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.136
local terms energy: -44.875854
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -85.491028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491028 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -31.850
Base-Backbone interact. energy: 2.676
local terms energy: -56.317055
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -74.481844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.481844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.481844 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -18.629
Base-Backbone interact. energy: 0.335
local terms energy: -40.297201
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -206.912130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.912130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.912130 (E_RNA)
where:
Base-Base interactions energy: -136.910
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.298
local terms energy: -69.703553
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -205.985104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.985104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.985104 (E_RNA)
where:
Base-Base interactions energy: -133.923
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.026
local terms energy: -72.036409
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -207.095329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095329 (E_RNA)
where:
Base-Base interactions energy: -134.824
where: short stacking energy: -58.390
Base-Backbone interact. energy: 0.247
local terms energy: -72.517861
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -169.361606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.361606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.361606 (E_RNA)
where:
Base-Base interactions energy: -95.478
where: short stacking energy: -51.384
Base-Backbone interact. energy: -1.242
local terms energy: -72.641428
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -107.210223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.210223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.210223 (E_RNA)
where:
Base-Base interactions energy: -51.405
where: short stacking energy: -36.201
Base-Backbone interact. energy: 0.266
local terms energy: -56.071466
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -103.411740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.411740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.411740 (E_RNA)
where:
Base-Base interactions energy: -46.327
where: short stacking energy: -30.245
Base-Backbone interact. energy: 0.322
local terms energy: -57.407580
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -141.813573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.813573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.813573 (E_RNA)
where:
Base-Base interactions energy: -77.628
where: short stacking energy: -55.793
Base-Backbone interact. energy: 0.052
local terms energy: -64.237111
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -106.331805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.331805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.331805 (E_RNA)
where:
Base-Base interactions energy: -44.840
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.002
local terms energy: -61.489163
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -77.063768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.063768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.063768 (E_RNA)
where:
Base-Base interactions energy: -23.467
where: short stacking energy: -24.497
Base-Backbone interact. energy: -0.017
local terms energy: -53.580241
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -83.266654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.266654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.266654 (E_RNA)
where:
Base-Base interactions energy: -48.253
where: short stacking energy: -36.146
Base-Backbone interact. energy: -0.364
local terms energy: -34.649561
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -1.520
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -213.386012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.386012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.386012 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.120
local terms energy: -78.378158
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -196.127304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.127304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.127304 (E_RNA)
where:
Base-Base interactions energy: -123.387
where: short stacking energy: -65.234
Base-Backbone interact. energy: 0.058
local terms energy: -72.798230
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -211.723568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.723568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.723568 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.738
local terms energy: -79.579006
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -167.215567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.215567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.215567 (E_RNA)
where:
Base-Base interactions energy: -96.802
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.073
local terms energy: -70.340160
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -102.837893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.837893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.837893 (E_RNA)
where:
Base-Base interactions energy: -40.076
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.027
local terms energy: -62.734753
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -120.684539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.684539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.684539 (E_RNA)
where:
Base-Base interactions energy: -65.885
where: short stacking energy: -40.461
Base-Backbone interact. energy: 0.073
local terms energy: -54.872371
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -101.877097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.877097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.877097 (E_RNA)
where:
Base-Base interactions energy: -43.047
where: short stacking energy: -41.364
Base-Backbone interact. energy: -0.013
local terms energy: -58.816993
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -96.674042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.674042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.674042 (E_RNA)
where:
Base-Base interactions energy: -47.851
where: short stacking energy: -32.908
Base-Backbone interact. energy: -0.126
local terms energy: -48.697327
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -94.741898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741898 (E_RNA)
where:
Base-Base interactions energy: -36.623
where: short stacking energy: -35.806
Base-Backbone interact. energy: -0.160
local terms energy: -57.958437
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -78.733831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.733831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.733831 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -29.036
Base-Backbone interact. energy: 0.913
local terms energy: -47.247181
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -217.850716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.850716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.850716 (E_RNA)
where:
Base-Base interactions energy: -134.122
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.074
local terms energy: -83.654404
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -214.672135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.672135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.672135 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.001
local terms energy: -80.669196
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -206.444497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.444497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.444497 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.283
local terms energy: -71.261689
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -165.653363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.653363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.653363 (E_RNA)
where:
Base-Base interactions energy: -97.634
where: short stacking energy: -50.099
Base-Backbone interact. energy: -0.109
local terms energy: -67.910469
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -99.354164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.354164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.354164 (E_RNA)
where:
Base-Base interactions energy: -37.836
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.219
local terms energy: -61.299629
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -92.670689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.670689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.670689 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.118
local terms energy: -56.214692
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -114.599252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.599252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.599252 (E_RNA)
where:
Base-Base interactions energy: -47.791
where: short stacking energy: -36.637
Base-Backbone interact. energy: 0.049
local terms energy: -66.857613
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -85.602410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.602410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.602410 (E_RNA)
where:
Base-Base interactions energy: -36.313
where: short stacking energy: -34.462
Base-Backbone interact. energy: -0.113
local terms energy: -49.176490
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -86.124882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124882 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.171
local terms energy: -51.362208
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -79.498659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.498659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.498659 (E_RNA)
where:
Base-Base interactions energy: -26.780
where: short stacking energy: -26.780
Base-Backbone interact. energy: -0.480
local terms energy: -52.239487
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -212.222774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.222774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.222774 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.505
local terms energy: -78.680350
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -215.797287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.797287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.797287 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.506
local terms energy: -80.831099
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -213.136777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.136777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.136777 (E_RNA)
where:
Base-Base interactions energy: -133.466
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.021
local terms energy: -79.648958
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -118.233113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.233113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.233113 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -42.964
Base-Backbone interact. energy: -0.258
local terms energy: -65.359693
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -162.658662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.658662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.658662 (E_RNA)
where:
Base-Base interactions energy: -95.821
where: short stacking energy: -51.615
Base-Backbone interact. energy: -0.388
local terms energy: -66.450288
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -107.551535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.551535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.551535 (E_RNA)
where:
Base-Base interactions energy: -51.578
where: short stacking energy: -45.778
Base-Backbone interact. energy: 0.528
local terms energy: -56.501754
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -91.302343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.302343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.302343 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -21.670
Base-Backbone interact. energy: -0.052
local terms energy: -60.004626
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -106.413555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.413555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.413555 (E_RNA)
where:
Base-Base interactions energy: -54.024
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.060
local terms energy: -52.329727
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -79.667948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.667948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.667948 (E_RNA)
where:
Base-Base interactions energy: -28.535
where: short stacking energy: -28.535
Base-Backbone interact. energy: 0.129
local terms energy: -51.261601
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -88.687528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.687528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.687528 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.173
local terms energy: -53.084670
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -225.851950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.851950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.851950 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -71.520
Base-Backbone interact. energy: -0.092
local terms energy: -86.504492
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -213.322199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.322199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.322199 (E_RNA)
where:
Base-Base interactions energy: -131.106
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.105
local terms energy: -82.111884
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -213.844211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.844211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.844211 (E_RNA)
where:
Base-Base interactions energy: -135.648
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.037
local terms energy: -78.159116
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -121.092487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.092487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.092487 (E_RNA)
where:
Base-Base interactions energy: -58.502
where: short stacking energy: -48.475
Base-Backbone interact. energy: -1.240
local terms energy: -61.350516
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -97.309087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.309087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.309087 (E_RNA)
where:
Base-Base interactions energy: -40.530
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.682
local terms energy: -56.097517
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -155.714723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.714723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.714723 (E_RNA)
where:
Base-Base interactions energy: -94.334
where: short stacking energy: -53.611
Base-Backbone interact. energy: -0.634
local terms energy: -60.746868
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -102.896173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.896173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.896173 (E_RNA)
where:
Base-Base interactions energy: -43.075
where: short stacking energy: -37.563
Base-Backbone interact. energy: 5.139
local terms energy: -64.959883
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -86.551737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.551737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.551737 (E_RNA)
where:
Base-Base interactions energy: -33.530
where: short stacking energy: -30.894
Base-Backbone interact. energy: -0.008
local terms energy: -53.013667
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -92.098781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.098781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.098781 (E_RNA)
where:
Base-Base interactions energy: -41.256
where: short stacking energy: -35.418
Base-Backbone interact. energy: -0.110
local terms energy: -50.733684
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -81.672662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672662 (E_RNA)
where:
Base-Base interactions energy: -34.284
where: short stacking energy: -24.716
Base-Backbone interact. energy: -0.093
local terms energy: -47.295170
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -218.341435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.341435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.341435 (E_RNA)
where:
Base-Base interactions energy: -135.456
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.212
local terms energy: -82.672816
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -225.024319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.024319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.024319 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.133
local terms energy: -82.586587
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -209.963867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.963867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.963867 (E_RNA)
where:
Base-Base interactions energy: -128.661
where: short stacking energy: -52.879
Base-Backbone interact. energy: -0.323
local terms energy: -80.979739
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -117.953152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.953152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.953152 (E_RNA)
where:
Base-Base interactions energy: -53.257
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.064
local terms energy: -64.631604
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -118.874933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.874933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.874933 (E_RNA)
where:
Base-Base interactions energy: -47.861
where: short stacking energy: -47.861
Base-Backbone interact. energy: -0.150
local terms energy: -70.864047
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -156.750448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.750448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.750448 (E_RNA)
where:
Base-Base interactions energy: -88.891
where: short stacking energy: -45.915
Base-Backbone interact. energy: -1.153
local terms energy: -66.706746
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -102.980530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.980530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.980530 (E_RNA)
where:
Base-Base interactions energy: -46.198
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.012
local terms energy: -56.770347
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -85.038388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038388 (E_RNA)
where:
Base-Base interactions energy: -28.233
where: short stacking energy: -24.901
Base-Backbone interact. energy: -0.111
local terms energy: -56.693857
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -82.889258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.889258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.889258 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -23.157
Base-Backbone interact. energy: -0.125
local terms energy: -52.013395
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -76.903761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.903761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.903761 (E_RNA)
where:
Base-Base interactions energy: -30.661
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.241
local terms energy: -46.001862
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -209.720612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.720612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.720612 (E_RNA)
where:
Base-Base interactions energy: -136.105
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.360
local terms energy: -73.256020
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -201.006105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.006105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.006105 (E_RNA)
where:
Base-Base interactions energy: -121.579
where: short stacking energy: -55.841
Base-Backbone interact. energy: -0.674
local terms energy: -78.753243
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -210.500247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.500247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.500247 (E_RNA)
where:
Base-Base interactions energy: -133.117
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.677
local terms energy: -76.706686
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -108.041224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.041224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.041224 (E_RNA)
where:
Base-Base interactions energy: -63.951
where: short stacking energy: -27.513
Base-Backbone interact. energy: 0.997
local terms energy: -45.088167
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -160.507610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.507610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.507610 (E_RNA)
where:
Base-Base interactions energy: -100.437
where: short stacking energy: -55.088
Base-Backbone interact. energy: -1.753
local terms energy: -58.318004
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -115.378970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.378970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.378970 (E_RNA)
where:
Base-Base interactions energy: -48.907
where: short stacking energy: -46.879
Base-Backbone interact. energy: -0.249
local terms energy: -66.222681
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -89.602963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602963 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -34.905
Base-Backbone interact. energy: -0.143
local terms energy: -54.554198
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -86.982443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.982443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.982443 (E_RNA)
where:
Base-Base interactions energy: -31.018
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.129
local terms energy: -55.834528
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -108.027043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.027043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.027043 (E_RNA)
where:
Base-Base interactions energy: -52.670
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.041
local terms energy: -55.315315
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -88.479337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479337 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.264
local terms energy: -53.593047
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -219.413654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.413654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.413654 (E_RNA)
where:
Base-Base interactions energy: -139.114
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.004
local terms energy: -80.295183
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -203.921050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.921050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.921050 (E_RNA)
where:
Base-Base interactions energy: -125.221
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.629
local terms energy: -78.071533
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -203.555705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.555705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.555705 (E_RNA)
where:
Base-Base interactions energy: -128.997
where: short stacking energy: -51.768
Base-Backbone interact. energy: -0.528
local terms energy: -74.031292
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -160.809558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.809558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.809558 (E_RNA)
where:
Base-Base interactions energy: -88.580
where: short stacking energy: -48.201
Base-Backbone interact. energy: -1.368
local terms energy: -70.860947
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -136.200472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.200472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.200472 (E_RNA)
where:
Base-Base interactions energy: -76.686
where: short stacking energy: -50.040
Base-Backbone interact. energy: -0.789
local terms energy: -58.725476
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -106.320682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.320682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.320682 (E_RNA)
where:
Base-Base interactions energy: -43.444
where: short stacking energy: -42.811
Base-Backbone interact. energy: -0.213
local terms energy: -62.663690
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -88.081371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.081371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.081371 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -28.100
Base-Backbone interact. energy: -0.132
local terms energy: -55.164390
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -93.690980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.690980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.690980 (E_RNA)
where:
Base-Base interactions energy: -39.339
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.019
local terms energy: -54.332694
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -93.427360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.427360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.427360 (E_RNA)
where:
Base-Base interactions energy: -43.366
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.242
local terms energy: -49.819787
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -87.365247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.365247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.365247 (E_RNA)
where:
Base-Base interactions energy: -29.390
where: short stacking energy: -29.390
Base-Backbone interact. energy: 1.706
local terms energy: -59.680606
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -224.530944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.530944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.530944 (E_RNA)
where:
Base-Base interactions energy: -139.453
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.004
local terms energy: -85.074762
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -208.450869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.450869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.450869 (E_RNA)
where:
Base-Base interactions energy: -133.903
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.006
local terms energy: -74.542509
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -176.344318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.344318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.344318 (E_RNA)
where:
Base-Base interactions energy: -103.845
where: short stacking energy: -57.594
Base-Backbone interact. energy: -0.058
local terms energy: -72.441088
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -196.278898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.278898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.278898 (E_RNA)
where:
Base-Base interactions energy: -120.268
where: short stacking energy: -58.755
Base-Backbone interact. energy: 0.169
local terms energy: -76.180021
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -120.905426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.905426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.905426 (E_RNA)
where:
Base-Base interactions energy: -61.682
where: short stacking energy: -40.177
Base-Backbone interact. energy: -0.758
local terms energy: -58.465464
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -121.846007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.846007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.846007 (E_RNA)
where:
Base-Base interactions energy: -61.272
where: short stacking energy: -43.473
Base-Backbone interact. energy: -0.085
local terms energy: -60.489308
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -93.504500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.504500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.504500 (E_RNA)
where:
Base-Base interactions energy: -42.183
where: short stacking energy: -30.152
Base-Backbone interact. energy: -1.026
local terms energy: -50.294869
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -92.173808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.173808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.173808 (E_RNA)
where:
Base-Base interactions energy: -38.625
where: short stacking energy: -36.882
Base-Backbone interact. energy: -0.487
local terms energy: -53.061032
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -72.456042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.456042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.456042 (E_RNA)
where:
Base-Base interactions energy: -21.388
where: short stacking energy: -21.388
Base-Backbone interact. energy: -0.403
local terms energy: -50.665006
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: 1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -92.268011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.268011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.268011 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.175
local terms energy: -56.648375
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -219.408747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408747 (E_RNA)
where:
Base-Base interactions energy: -132.949
where: short stacking energy: -67.328
Base-Backbone interact. energy: -0.970
local terms energy: -85.489711
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -177.245434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.245434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.245434 (E_RNA)
where:
Base-Base interactions energy: -97.116
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.108
local terms energy: -80.021702
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -200.068884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.068884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.068884 (E_RNA)
where:
Base-Base interactions energy: -127.345
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.018
local terms energy: -72.705981
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -194.352221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.352221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.352221 (E_RNA)
where:
Base-Base interactions energy: -113.820
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.929
local terms energy: -79.603812
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -122.144300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.144300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.144300 (E_RNA)
where:
Base-Base interactions energy: -67.761
where: short stacking energy: -46.520
Base-Backbone interact. energy: 2.053
local terms energy: -56.436371
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -96.771779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.771779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.771779 (E_RNA)
where:
Base-Base interactions energy: -39.531
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.100
local terms energy: -57.141269
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -103.218688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.218688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.218688 (E_RNA)
where:
Base-Base interactions energy: -48.829
where: short stacking energy: -41.148
Base-Backbone interact. energy: -0.165
local terms energy: -54.224644
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -86.801163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.801163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.801163 (E_RNA)
where:
Base-Base interactions energy: -35.936
where: short stacking energy: -32.682
Base-Backbone interact. energy: 0.286
local terms energy: -51.151598
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -83.020265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.020265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.020265 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -27.356
Base-Backbone interact. energy: -1.371
local terms energy: -42.778530
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -85.549482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.549482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.549482 (E_RNA)
where:
Base-Base interactions energy: -25.654
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.175
local terms energy: -59.719877
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -214.413528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.413528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.413528 (E_RNA)
where:
Base-Base interactions energy: -135.187
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.005
local terms energy: -79.221720
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -184.444081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.444081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.444081 (E_RNA)
where:
Base-Base interactions energy: -117.045
where: short stacking energy: -48.221
Base-Backbone interact. energy: -0.165
local terms energy: -67.234261
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -202.703683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.703683 (E_RNA)
where:
Base-Base interactions energy: -123.910
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.058
local terms energy: -78.734832
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -204.269188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.269188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.269188 (E_RNA)
where:
Base-Base interactions energy: -133.439
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.001
local terms energy: -70.829123
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -121.165118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.165118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.165118 (E_RNA)
where:
Base-Base interactions energy: -62.028
where: short stacking energy: -36.607
Base-Backbone interact. energy: -0.080
local terms energy: -59.056607
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -89.669231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.669231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.669231 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -20.589
Base-Backbone interact. energy: -0.770
local terms energy: -52.805369
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -100.439514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.439514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.439514 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.201
local terms energy: -63.428972
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -93.651675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.651675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.651675 (E_RNA)
where:
Base-Base interactions energy: -31.477
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.027
local terms energy: -62.147418
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -93.205605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.205605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.205605 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.044
local terms energy: -54.833436
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -77.448276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.448276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.448276 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -14.168
Base-Backbone interact. energy: -0.456
local terms energy: -46.712793
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -215.513605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.513605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.513605 (E_RNA)
where:
Base-Base interactions energy: -134.823
where: short stacking energy: -59.442
Base-Backbone interact. energy: 0.092
local terms energy: -80.782687
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -212.187117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.187117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.187117 (E_RNA)
where:
Base-Base interactions energy: -127.566
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.002
local terms energy: -84.619789
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -171.527102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.527102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.527102 (E_RNA)
where:
Base-Base interactions energy: -113.472
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.221
local terms energy: -57.834565
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -180.809604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.809604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.809604 (E_RNA)
where:
Base-Base interactions energy: -105.704
where: short stacking energy: -51.736
Base-Backbone interact. energy: -0.014
local terms energy: -75.092427
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -125.732985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.732985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.732985 (E_RNA)
where:
Base-Base interactions energy: -67.672
where: short stacking energy: -42.347
Base-Backbone interact. energy: 1.017
local terms energy: -59.078065
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -95.163759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.163759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.163759 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -37.576
Base-Backbone interact. energy: -1.252
local terms energy: -56.335771
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -89.214669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.214669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.214669 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.157
local terms energy: -50.267935
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -90.648904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648904 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.163
local terms energy: -55.894642
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -88.672047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.672047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.672047 (E_RNA)
where:
Base-Base interactions energy: -31.946
where: short stacking energy: -31.946
Base-Backbone interact. energy: -0.029
local terms energy: -56.697575
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.200460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.200460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.200460 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -22.646
Base-Backbone interact. energy: -0.181
local terms energy: -56.970274
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -215.262840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.262840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.262840 (E_RNA)
where:
Base-Base interactions energy: -131.885
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.562
local terms energy: -82.816552
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -221.180732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.180732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.180732 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.013
local terms energy: -75.663683
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -167.922864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.922864 (E_RNA)
where:
Base-Base interactions energy: -99.494
where: short stacking energy: -49.465
Base-Backbone interact. energy: -1.298
local terms energy: -67.131527
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -210.777950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.777950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.777950 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -62.239
Base-Backbone interact. energy: -0.063
local terms energy: -78.782671
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -103.611725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.611725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.611725 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -29.460
Base-Backbone interact. energy: -0.689
local terms energy: -65.699370
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -104.209476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.209476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.209476 (E_RNA)
where:
Base-Base interactions energy: -47.446
where: short stacking energy: -29.278
Base-Backbone interact. energy: 0.251
local terms energy: -57.014573
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -96.442332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.442332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.442332 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -30.541
Base-Backbone interact. energy: 0.116
local terms energy: -64.011454
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -87.855233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.855233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.855233 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -35.822
Base-Backbone interact. energy: 1.310
local terms energy: -51.735479
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -91.314129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.314129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.314129 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -33.680
Base-Backbone interact. energy: 0.110
local terms energy: -50.328365
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -85.527734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.527734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.527734 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.147
local terms energy: -55.492595
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -211.423190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.423190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423190 (E_RNA)
where:
Base-Base interactions energy: -138.858
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.634
local terms energy: -71.930830
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -211.323962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.323962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.323962 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -63.838
Base-Backbone interact. energy: -1.141
local terms energy: -68.363270
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -162.180153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.180153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.180153 (E_RNA)
where:
Base-Base interactions energy: -92.015
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.912
local terms energy: -69.252742
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -203.324661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.324661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.324661 (E_RNA)
where:
Base-Base interactions energy: -127.424
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.032
local terms energy: -75.868654
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -105.293537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.293537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.293537 (E_RNA)
where:
Base-Base interactions energy: -45.642
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.079
local terms energy: -59.571894
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -96.962322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.962322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.962322 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -33.436
Base-Backbone interact. energy: -0.321
local terms energy: -58.145139
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: 1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -104.027990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.027990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.027990 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -25.986
Base-Backbone interact. energy: -0.846
local terms energy: -68.968389
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -80.816665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.816665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.816665 (E_RNA)
where:
Base-Base interactions energy: -30.171
where: short stacking energy: -30.171
Base-Backbone interact. energy: -0.026
local terms energy: -50.620307
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -81.766980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.766980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.766980 (E_RNA)
where:
Base-Base interactions energy: -25.713
where: short stacking energy: -22.076
Base-Backbone interact. energy: -0.472
local terms energy: -55.581136
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -96.334584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.334584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.334584 (E_RNA)
where:
Base-Base interactions energy: -38.865
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.161
local terms energy: -57.307908
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -216.900377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.900377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.900377 (E_RNA)
where:
Base-Base interactions energy: -135.424
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.005
local terms energy: -81.471424
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -206.181246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.181246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.181246 (E_RNA)
where:
Base-Base interactions energy: -129.902
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.002
local terms energy: -76.277166
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -198.381518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.381518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.381518 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.057
local terms energy: -69.993109
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -180.416931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.416931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.416931 (E_RNA)
where:
Base-Base interactions energy: -103.276
where: short stacking energy: -56.927
Base-Backbone interact. energy: -1.324
local terms energy: -75.816871
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -125.491446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.491446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.491446 (E_RNA)
where:
Base-Base interactions energy: -62.544
where: short stacking energy: -49.958
Base-Backbone interact. energy: -0.041
local terms energy: -62.905696
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -97.994509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.994509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.994509 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -41.136
Base-Backbone interact. energy: -0.107
local terms energy: -56.751969
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -105.492086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.492086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.492086 (E_RNA)
where:
Base-Base interactions energy: -49.385
where: short stacking energy: -27.534
Base-Backbone interact. energy: -0.093
local terms energy: -56.013429
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -91.224987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.224987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.224987 (E_RNA)
where:
Base-Base interactions energy: -41.576
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.097
local terms energy: -49.552095
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -83.773561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773561 (E_RNA)
where:
Base-Base interactions energy: -34.657
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.093
local terms energy: -49.023865
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: 1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -74.642645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.642645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.642645 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.117
local terms energy: -43.066124
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -1.710
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -216.210141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.210141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.210141 (E_RNA)
where:
Base-Base interactions energy: -141.013
where: short stacking energy: -61.366
Base-Backbone interact. energy: -1.166
local terms energy: -74.030667
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -206.969950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.969950 (E_RNA)
where:
Base-Base interactions energy: -131.013
where: short stacking energy: -56.673
Base-Backbone interact. energy: -0.594
local terms energy: -75.363005
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -213.862683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.862683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.862683 (E_RNA)
where:
Base-Base interactions energy: -137.878
where: short stacking energy: -68.532
Base-Backbone interact. energy: -1.116
local terms energy: -74.868735
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -126.762620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.762620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.762620 (E_RNA)
where:
Base-Base interactions energy: -61.921
where: short stacking energy: -50.177
Base-Backbone interact. energy: -0.051
local terms energy: -64.790598
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -166.219221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.219221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.219221 (E_RNA)
where:
Base-Base interactions energy: -100.638
where: short stacking energy: -42.583
Base-Backbone interact. energy: -0.044
local terms energy: -65.537986
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -95.153862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.153862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.153862 (E_RNA)
where:
Base-Base interactions energy: -34.179
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.131
local terms energy: -60.843571
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -99.581684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.581684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.581684 (E_RNA)
where:
Base-Base interactions energy: -42.674
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.008
local terms energy: -56.899968
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -89.962659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.962659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.962659 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -28.466
Base-Backbone interact. energy: 1.837
local terms energy: -58.147859
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.895138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895138 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.242
local terms energy: -52.631716
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -87.415566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.415566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.415566 (E_RNA)
where:
Base-Base interactions energy: -40.812
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.318
local terms energy: -46.285770
where:
bonds (distance) C4'-P energy: -7.830
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -220.267332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.267332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.267332 (E_RNA)
where:
Base-Base interactions energy: -137.441
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.610
local terms energy: -82.216030
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -207.397122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.397122 (E_RNA)
where:
Base-Base interactions energy: -133.626
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.834
local terms energy: -72.936947
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -207.621990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.621990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.621990 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.314
local terms energy: -78.819019
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -137.655281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.655281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.655281 (E_RNA)
where:
Base-Base interactions energy: -77.551
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.676
local terms energy: -59.428126
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -154.178516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.178516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.178516 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.426
local terms energy: -63.243552
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -113.839212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.839212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.839212 (E_RNA)
where:
Base-Base interactions energy: -48.094
where: short stacking energy: -47.095
Base-Backbone interact. energy: -0.216
local terms energy: -65.529635
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -99.729421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729421 (E_RNA)
where:
Base-Base interactions energy: -39.304
where: short stacking energy: -39.284
Base-Backbone interact. energy: -0.004
local terms energy: -60.420808
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -89.538610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538610 (E_RNA)
where:
Base-Base interactions energy: -31.005
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.590
local terms energy: -57.943561
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -83.707427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.707427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.707427 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.100
local terms energy: -52.413534
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -76.305702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.305702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.305702 (E_RNA)
where:
Base-Base interactions energy: -33.752
where: short stacking energy: -29.914
Base-Backbone interact. energy: -0.241
local terms energy: -42.312694
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -222.753867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.753867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.753867 (E_RNA)
where:
Base-Base interactions energy: -138.393
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.338
local terms energy: -84.022310
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -25.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -213.550018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.550018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.550018 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.105
local terms energy: -74.221517
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -216.466464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.466464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.466464 (E_RNA)
where:
Base-Base interactions energy: -137.237
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.705
local terms energy: -78.524397
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -171.257467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.257467 (E_RNA)
where:
Base-Base interactions energy: -106.662
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.479
local terms energy: -64.116919
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -153.342461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.342461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.342461 (E_RNA)
where:
Base-Base interactions energy: -80.540
where: short stacking energy: -44.493
Base-Backbone interact. energy: -0.095
local terms energy: -72.707877
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -13.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -117.259904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.259904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.259904 (E_RNA)
where:
Base-Base interactions energy: -54.724
where: short stacking energy: -37.936
Base-Backbone interact. energy: 0.272
local terms energy: -62.807120
where:
bonds (distance) C4'-P energy: -6.759
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -91.112891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.112891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.112891 (E_RNA)
where:
Base-Base interactions energy: -31.473
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.134
local terms energy: -59.505495
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -88.066682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.066682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.066682 (E_RNA)
where:
Base-Base interactions energy: -28.080
where: short stacking energy: -27.985
Base-Backbone interact. energy: 0.488
local terms energy: -60.474267
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -82.983660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983660 (E_RNA)
where:
Base-Base interactions energy: -24.152
where: short stacking energy: -24.152
Base-Backbone interact. energy: 0.158
local terms energy: -58.989438
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -89.618376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.618376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.618376 (E_RNA)
where:
Base-Base interactions energy: -40.652
where: short stacking energy: -30.214
Base-Backbone interact. energy: -0.155
local terms energy: -48.811563
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -228.170837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.170837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.170837 (E_RNA)
where:
Base-Base interactions energy: -144.855
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.166
local terms energy: -83.149190
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -216.441136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.441136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.441136 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -72.297
Base-Backbone interact. energy: 0.502
local terms energy: -77.435230
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -167.461031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.461031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.461031 (E_RNA)
where:
Base-Base interactions energy: -96.382
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.655
local terms energy: -70.424740
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -199.779161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.779161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.779161 (E_RNA)
where:
Base-Base interactions energy: -129.215
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.116
local terms energy: -70.448440
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -144.500375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.500375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.500375 (E_RNA)
where:
Base-Base interactions energy: -85.124
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.286
local terms energy: -59.090672
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -102.817458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.817458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.817458 (E_RNA)
where:
Base-Base interactions energy: -31.977
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.835
local terms energy: -70.005486
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -96.070155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.070155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.070155 (E_RNA)
where:
Base-Base interactions energy: -46.959
where: short stacking energy: -36.644
Base-Backbone interact. energy: 1.093
local terms energy: -50.203940
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -90.404839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404839 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.064
local terms energy: -52.596215
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -87.945724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.945724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.945724 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -35.549
Base-Backbone interact. energy: 0.089
local terms energy: -52.485411
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -77.634592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.634592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.634592 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.248
local terms energy: -42.255731
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -218.995722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.995722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.995722 (E_RNA)
where:
Base-Base interactions energy: -139.375
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.317
local terms energy: -79.303766
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -209.791689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.791689 (E_RNA)
where:
Base-Base interactions energy: -133.970
where: short stacking energy: -70.074
Base-Backbone interact. energy: 0.443
local terms energy: -76.264449
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -175.047083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047083 (E_RNA)
where:
Base-Base interactions energy: -94.745
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.312
local terms energy: -79.990270
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -196.211904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.211904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.211904 (E_RNA)
where:
Base-Base interactions energy: -125.117
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.505
local terms energy: -70.589420
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -151.066403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.066403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.066403 (E_RNA)
where:
Base-Base interactions energy: -87.370
where: short stacking energy: -51.737
Base-Backbone interact. energy: -0.442
local terms energy: -63.253726
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -96.863493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.863493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.863493 (E_RNA)
where:
Base-Base interactions energy: -39.829
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.056
local terms energy: -56.978620
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -101.267822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.267822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.267822 (E_RNA)
where:
Base-Base interactions energy: -38.198
where: short stacking energy: -36.481
Base-Backbone interact. energy: -0.625
local terms energy: -62.444466
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.170183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.170183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.170183 (E_RNA)
where:
Base-Base interactions energy: -24.873
where: short stacking energy: -24.087
Base-Backbone interact. energy: -0.126
local terms energy: -62.170430
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -82.139495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.139495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.139495 (E_RNA)
where:
Base-Base interactions energy: -36.352
where: short stacking energy: -33.130
Base-Backbone interact. energy: -1.040
local terms energy: -44.746703
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -81.430349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.430349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.430349 (E_RNA)
where:
Base-Base interactions energy: -29.883
where: short stacking energy: -29.883
Base-Backbone interact. energy: -0.210
local terms energy: -51.336779
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -220.466075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.466075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.466075 (E_RNA)
where:
Base-Base interactions energy: -135.542
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.018
local terms energy: -84.906897
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -219.153757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.153757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.153757 (E_RNA)
where:
Base-Base interactions energy: -139.671
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.011
local terms energy: -79.471901
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -210.547531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.547531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.547531 (E_RNA)
where:
Base-Base interactions energy: -133.539
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.005
local terms energy: -77.003765
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -174.194101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.194101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.194101 (E_RNA)
where:
Base-Base interactions energy: -103.962
where: short stacking energy: -49.887
Base-Backbone interact. energy: 1.227
local terms energy: -71.458343
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -110.616345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.616345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.616345 (E_RNA)
where:
Base-Base interactions energy: -47.873
where: short stacking energy: -36.343
Base-Backbone interact. energy: 0.071
local terms energy: -62.813606
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -89.809902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809902 (E_RNA)
where:
Base-Base interactions energy: -42.277
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.099
local terms energy: -47.433920
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -88.599131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.599131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.599131 (E_RNA)
where:
Base-Base interactions energy: -36.799
where: short stacking energy: -34.513
Base-Backbone interact. energy: 1.036
local terms energy: -52.836305
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -95.513890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513890 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -25.269
Base-Backbone interact. energy: 1.749
local terms energy: -57.826276
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.909774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.909774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.909774 (E_RNA)
where:
Base-Base interactions energy: -36.157
where: short stacking energy: -36.157
Base-Backbone interact. energy: -0.261
local terms energy: -44.491513
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -6.319
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -82.179712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.179712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.179712 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -27.846
Base-Backbone interact. energy: 0.412
local terms energy: -47.801297
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -225.102503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.102503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.102503 (E_RNA)
where:
Base-Base interactions energy: -139.457
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.005
local terms energy: -85.640262
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -209.676487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.676487 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.060
local terms energy: -80.586228
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -210.193340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.193340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.193340 (E_RNA)
where:
Base-Base interactions energy: -131.237
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.085
local terms energy: -78.871241
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -159.370837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.370837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.370837 (E_RNA)
where:
Base-Base interactions energy: -100.392
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.074
local terms energy: -58.904764
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -106.868943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.868943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.868943 (E_RNA)
where:
Base-Base interactions energy: -46.771
where: short stacking energy: -37.478
Base-Backbone interact. energy: -0.153
local terms energy: -59.945636
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -106.602043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.602043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.602043 (E_RNA)
where:
Base-Base interactions energy: -49.704
where: short stacking energy: -43.000
Base-Backbone interact. energy: -0.107
local terms energy: -56.791511
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -91.685082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685082 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -23.787
Base-Backbone interact. energy: -0.121
local terms energy: -59.625172
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -79.976539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.976539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.976539 (E_RNA)
where:
Base-Base interactions energy: -43.947
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.087
local terms energy: -35.942508
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -3.521
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -98.032235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.032235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.032235 (E_RNA)
where:
Base-Base interactions energy: -48.968
where: short stacking energy: -32.924
Base-Backbone interact. energy: -1.334
local terms energy: -47.730313
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -90.904978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.904978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.904978 (E_RNA)
where:
Base-Base interactions energy: -38.053
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.181
local terms energy: -52.670191
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -223.419989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.419989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.419989 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.002
local terms energy: -79.919821
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -215.003326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003326 (E_RNA)
where:
Base-Base interactions energy: -131.692
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.734
local terms energy: -82.577571
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -176.435690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.435690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.435690 (E_RNA)
where:
Base-Base interactions energy: -104.246
where: short stacking energy: -53.960
Base-Backbone interact. energy: -1.571
local terms energy: -70.618331
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -204.544202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.544202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.544202 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.308
local terms energy: -71.707790
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -125.082827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.082827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.082827 (E_RNA)
where:
Base-Base interactions energy: -57.275
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.050
local terms energy: -67.757926
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -92.498693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.498693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.498693 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.081
local terms energy: -61.732389
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -95.432622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.432622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.432622 (E_RNA)
where:
Base-Base interactions energy: -45.315
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.216
local terms energy: -49.901402
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -90.165730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165730 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.279
local terms energy: -50.458086
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -84.745482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745482 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.081
local terms energy: -55.123355
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -84.166352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166352 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -35.419
Base-Backbone interact. energy: -0.003
local terms energy: -48.744721
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -221.778416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.778416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.778416 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.001
local terms energy: -85.389650
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -216.059447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.059447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.059447 (E_RNA)
where:
Base-Base interactions energy: -131.988
where: short stacking energy: -54.601
Base-Backbone interact. energy: 0.702
local terms energy: -84.774043
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -178.152113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.152113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.152113 (E_RNA)
where:
Base-Base interactions energy: -105.478
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.689
local terms energy: -71.985016
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -204.321646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.321646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.321646 (E_RNA)
where:
Base-Base interactions energy: -128.104
where: short stacking energy: -61.579
Base-Backbone interact. energy: 0.157
local terms energy: -76.374340
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -114.429811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.429811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.429811 (E_RNA)
where:
Base-Base interactions energy: -53.569
where: short stacking energy: -37.540
Base-Backbone interact. energy: -0.443
local terms energy: -60.417784
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -104.385764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.385764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.385764 (E_RNA)
where:
Base-Base interactions energy: -45.497
where: short stacking energy: -42.223
Base-Backbone interact. energy: -0.078
local terms energy: -58.810454
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -105.740114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740114 (E_RNA)
where:
Base-Base interactions energy: -49.709
where: short stacking energy: -35.077
Base-Backbone interact. energy: 0.348
local terms energy: -56.379329
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -84.865321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.865321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.865321 (E_RNA)
where:
Base-Base interactions energy: -28.301
where: short stacking energy: -21.493
Base-Backbone interact. energy: 0.136
local terms energy: -56.700694
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -72.152919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.152919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.152919 (E_RNA)
where:
Base-Base interactions energy: -18.208
where: short stacking energy: -17.209
Base-Backbone interact. energy: 0.160
local terms energy: -54.104773
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: 3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -81.000273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000273 (E_RNA)
where:
Base-Base interactions energy: -27.324
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.372
local terms energy: -53.304266
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -221.083016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.083016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083016 (E_RNA)
where:
Base-Base interactions energy: -137.556
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.256
local terms energy: -83.271229
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -221.857291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857291 (E_RNA)
where:
Base-Base interactions energy: -139.208
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.311
local terms energy: -82.338160
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -214.560099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.560099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.560099 (E_RNA)
where:
Base-Base interactions energy: -144.198
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.733
local terms energy: -69.628873
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -173.163572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.163572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.163572 (E_RNA)
where:
Base-Base interactions energy: -101.269
where: short stacking energy: -58.243
Base-Backbone interact. energy: -2.014
local terms energy: -69.880810
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -109.280660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.280660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.280660 (E_RNA)
where:
Base-Base interactions energy: -54.926
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.583
local terms energy: -53.771751
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -92.787992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.787992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.787992 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -30.526
Base-Backbone interact. energy: -0.069
local terms energy: -59.838070
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -88.128803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128803 (E_RNA)
where:
Base-Base interactions energy: -28.892
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.183
local terms energy: -59.052960
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -86.547282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.547282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.547282 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.147
local terms energy: -55.314785
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -83.764387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.764387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.764387 (E_RNA)
where:
Base-Base interactions energy: -35.960
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.537
local terms energy: -47.266596
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -78.994672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.994672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.994672 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -25.116
Base-Backbone interact. energy: -1.274
local terms energy: -47.490826
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -218.778449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.778449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.778449 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.034
local terms energy: -80.631337
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -214.154387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.154387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.154387 (E_RNA)
where:
Base-Base interactions energy: -128.540
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.790
local terms energy: -84.823924
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -209.394807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394807 (E_RNA)
where:
Base-Base interactions energy: -132.180
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.132
local terms energy: -77.082663
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -162.632408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.632408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.632408 (E_RNA)
where:
Base-Base interactions energy: -99.796
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.177
local terms energy: -62.659531
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -105.339882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.339882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.339882 (E_RNA)
where:
Base-Base interactions energy: -61.079
where: short stacking energy: -30.312
Base-Backbone interact. energy: -0.472
local terms energy: -43.788856
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -110.555631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.555631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.555631 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.066
local terms energy: -64.874470
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -92.414269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.414269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.414269 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.032
local terms energy: -57.393585
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -90.552925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.552925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.552925 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.096
local terms energy: -56.193639
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -86.997442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.997442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.997442 (E_RNA)
where:
Base-Base interactions energy: -34.735
where: short stacking energy: -30.162
Base-Backbone interact. energy: -0.278
local terms energy: -51.984591
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -81.089380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.089380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.089380 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -33.751
Base-Backbone interact. energy: -0.159
local terms energy: -47.179044
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -217.067288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.067288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.067288 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -65.009
Base-Backbone interact. energy: -0.086
local terms energy: -80.644451
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -209.380193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.380193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.380193 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -60.519
Base-Backbone interact. energy: -1.282
local terms energy: -73.631085
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -210.421169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.421169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.421169 (E_RNA)
where:
Base-Base interactions energy: -130.056
where: short stacking energy: -60.354
Base-Backbone interact. energy: 1.453
local terms energy: -81.818149
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -177.048675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.048675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.048675 (E_RNA)
where:
Base-Base interactions energy: -119.337
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.259
local terms energy: -57.452548
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -113.435785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.435785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.435785 (E_RNA)
where:
Base-Base interactions energy: -50.521
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.000
local terms energy: -62.914570
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -98.275178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.275178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.275178 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.593
local terms energy: -58.701633
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -95.831198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.831198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.831198 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -36.603
Base-Backbone interact. energy: -0.088
local terms energy: -59.671715
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -94.957488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957488 (E_RNA)
where:
Base-Base interactions energy: -47.597
where: short stacking energy: -43.026
Base-Backbone interact. energy: 0.543
local terms energy: -47.903463
where:
bonds (distance) C4'-P energy: -7.386
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -77.995569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.995569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.995569 (E_RNA)
where:
Base-Base interactions energy: -26.792
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.213
local terms energy: -50.990976
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: 2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -80.544774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.544774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.544774 (E_RNA)
where:
Base-Base interactions energy: -22.255
where: short stacking energy: -22.255
Base-Backbone interact. energy: -0.268
local terms energy: -58.022064
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -214.259658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.259658 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.020
local terms energy: -73.527794
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -209.148607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148607 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.715
local terms energy: -75.163434
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -200.821572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.821572 (E_RNA)
where:
Base-Base interactions energy: -127.905
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.222
local terms energy: -72.694583
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -166.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.540873 (E_RNA)
where:
Base-Base interactions energy: -94.765
where: short stacking energy: -45.039
Base-Backbone interact. energy: -0.953
local terms energy: -70.823682
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -119.174554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.174554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.174554 (E_RNA)
where:
Base-Base interactions energy: -63.172
where: short stacking energy: -30.862
Base-Backbone interact. energy: -0.084
local terms energy: -55.917832
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -103.425847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.425847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.425847 (E_RNA)
where:
Base-Base interactions energy: -42.182
where: short stacking energy: -42.182
Base-Backbone interact. energy: -0.097
local terms energy: -61.146474
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -98.932334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.932334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.932334 (E_RNA)
where:
Base-Base interactions energy: -35.843
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.002
local terms energy: -63.086546
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -97.659581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.659581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.659581 (E_RNA)
where:
Base-Base interactions energy: -41.672
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.100
local terms energy: -55.887320
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -103.979818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.979818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.979818 (E_RNA)
where:
Base-Base interactions energy: -50.188
where: short stacking energy: -37.603
Base-Backbone interact. energy: -0.012
local terms energy: -53.780037
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -79.317617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.317617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.317617 (E_RNA)
where:
Base-Base interactions energy: -31.244
where: short stacking energy: -21.836
Base-Backbone interact. energy: -0.418
local terms energy: -47.654847
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -216.295356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.295356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.295356 (E_RNA)
where:
Base-Base interactions energy: -137.551
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.079
local terms energy: -78.665335
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -216.443489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.443489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.443489 (E_RNA)
where:
Base-Base interactions energy: -131.650
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.391
local terms energy: -84.402467
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -198.296319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.296319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.296319 (E_RNA)
where:
Base-Base interactions energy: -126.293
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.023
local terms energy: -71.979579
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -156.876735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.876735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.876735 (E_RNA)
where:
Base-Base interactions energy: -97.126
where: short stacking energy: -62.943
Base-Backbone interact. energy: 0.985
local terms energy: -60.735363
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -95.229485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.229485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.229485 (E_RNA)
where:
Base-Base interactions energy: -39.702
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.203
local terms energy: -55.324532
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -111.259191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.259191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.259191 (E_RNA)
where:
Base-Base interactions energy: -49.595
where: short stacking energy: -39.221
Base-Backbone interact. energy: -0.241
local terms energy: -61.423626
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -102.164282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.164282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.164282 (E_RNA)
where:
Base-Base interactions energy: -37.717
where: short stacking energy: -37.118
Base-Backbone interact. energy: -0.189
local terms energy: -64.257891
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -94.463644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463644 (E_RNA)
where:
Base-Base interactions energy: -43.821
where: short stacking energy: -32.704
Base-Backbone interact. energy: 0.717
local terms energy: -51.360304
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -87.921975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.921975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.921975 (E_RNA)
where:
Base-Base interactions energy: -30.310
where: short stacking energy: -30.310
Base-Backbone interact. energy: 0.382
local terms energy: -57.993814
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -85.124887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.124887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.124887 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -30.492
Base-Backbone interact. energy: 1.374
local terms energy: -52.490574
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -216.473352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.473352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.473352 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.891
local terms energy: -75.639519
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -216.952939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.952939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.952939 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -63.124
Base-Backbone interact. energy: -0.209
local terms energy: -77.511273
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -218.899194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.899194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.899194 (E_RNA)
where:
Base-Base interactions energy: -136.460
where: short stacking energy: -71.276
Base-Backbone interact. energy: -0.110
local terms energy: -82.328517
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -178.449785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.449785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.449785 (E_RNA)
where:
Base-Base interactions energy: -106.523
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.966
local terms energy: -70.959841
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -106.978775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.978775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.978775 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -35.040
Base-Backbone interact. energy: 0.141
local terms energy: -66.158815
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -97.334997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.334997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.334997 (E_RNA)
where:
Base-Base interactions energy: -39.694
where: short stacking energy: -36.339
Base-Backbone interact. energy: -1.013
local terms energy: -56.628680
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -96.984618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.984618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.984618 (E_RNA)
where:
Base-Base interactions energy: -47.315
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.094
local terms energy: -49.575392
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -108.522388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.522388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.522388 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.194
local terms energy: -63.677606
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -84.783435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.783435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.783435 (E_RNA)
where:
Base-Base interactions energy: -22.932
where: short stacking energy: -22.932
Base-Backbone interact. energy: -0.074
local terms energy: -61.777683
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.159935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.159935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.159935 (E_RNA)
where:
Base-Base interactions energy: -29.117
where: short stacking energy: -25.650
Base-Backbone interact. energy: 0.615
local terms energy: -49.657479
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -218.191123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.191123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.191123 (E_RNA)
where:
Base-Base interactions energy: -141.292
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.164
local terms energy: -76.734442
where:
bonds (distance) C4'-P energy: -7.583
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -221.813762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.813762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.813762 (E_RNA)
where:
Base-Base interactions energy: -135.611
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.019
local terms energy: -86.183757
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -207.849969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.849969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.849969 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.112
local terms energy: -82.117684
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -168.052036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.052036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.052036 (E_RNA)
where:
Base-Base interactions energy: -104.678
where: short stacking energy: -63.711
Base-Backbone interact. energy: -0.002
local terms energy: -63.372580
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -117.251749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.251749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.251749 (E_RNA)
where:
Base-Base interactions energy: -53.779
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.274
local terms energy: -63.199487
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -99.763629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.763629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.763629 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -42.325
Base-Backbone interact. energy: -0.002
local terms energy: -55.310219
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -86.456567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.456567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.456567 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -28.898
Base-Backbone interact. energy: -0.093
local terms energy: -55.757010
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -106.075921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.075921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.075921 (E_RNA)
where:
Base-Base interactions energy: -54.964
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.186
local terms energy: -50.926785
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: 0.555
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -82.386700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386700 (E_RNA)
where:
Base-Base interactions energy: -21.666
where: short stacking energy: -21.124
Base-Backbone interact. energy: -0.570
local terms energy: -60.151021
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -81.392626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.392626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.392626 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -32.686
Base-Backbone interact. energy: 0.083
local terms energy: -44.420878
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -218.696122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.696122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.696122 (E_RNA)
where:
Base-Base interactions energy: -143.830
where: short stacking energy: -69.893
Base-Backbone interact. energy: -1.012
local terms energy: -73.854594
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -21.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -208.252514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.252514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.252514 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -56.671
Base-Backbone interact. energy: -0.073
local terms energy: -72.345066
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -210.707109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.707109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.707109 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -74.165
Base-Backbone interact. energy: 0.249
local terms energy: -77.337674
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -164.847351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.847351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.847351 (E_RNA)
where:
Base-Base interactions energy: -96.287
where: short stacking energy: -57.543
Base-Backbone interact. energy: -0.003
local terms energy: -68.557359
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -102.235709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.235709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.235709 (E_RNA)
where:
Base-Base interactions energy: -43.632
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.065
local terms energy: -58.539195
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -100.801649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.801649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.801649 (E_RNA)
where:
Base-Base interactions energy: -35.270
where: short stacking energy: -35.270
Base-Backbone interact. energy: 1.226
local terms energy: -66.757231
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -87.095967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.095967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.095967 (E_RNA)
where:
Base-Base interactions energy: -29.625
where: short stacking energy: -24.798
Base-Backbone interact. energy: -0.957
local terms energy: -56.513541
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -82.510567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.510567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.510567 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -28.503
Base-Backbone interact. energy: 0.267
local terms energy: -51.942147
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -85.345702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.345702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.345702 (E_RNA)
where:
Base-Base interactions energy: -37.224
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.281
local terms energy: -47.840557
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -88.351446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.351446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.351446 (E_RNA)
where:
Base-Base interactions energy: -45.009
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.208
local terms energy: -43.133909
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -222.024696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.024696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.024696 (E_RNA)
where:
Base-Base interactions energy: -145.237
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.126
local terms energy: -76.661223
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -213.602167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.602167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.602167 (E_RNA)
where:
Base-Base interactions energy: -135.181
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.126
local terms energy: -78.295934
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -201.630202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.630202 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.002
local terms energy: -71.077082
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -172.501873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.501873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.501873 (E_RNA)
where:
Base-Base interactions energy: -107.894
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.316
local terms energy: -64.292827
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -109.314958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.314958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.314958 (E_RNA)
where:
Base-Base interactions energy: -47.510
where: short stacking energy: -31.010
Base-Backbone interact. energy: -0.434
local terms energy: -61.370988
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -90.590786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.590786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.590786 (E_RNA)
where:
Base-Base interactions energy: -37.996
where: short stacking energy: -35.061
Base-Backbone interact. energy: -0.106
local terms energy: -52.488658
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -105.160194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.160194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.160194 (E_RNA)
where:
Base-Base interactions energy: -43.078
where: short stacking energy: -37.637
Base-Backbone interact. energy: -0.332
local terms energy: -61.749854
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -83.917766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917766 (E_RNA)
where:
Base-Base interactions energy: -26.832
where: short stacking energy: -25.528
Base-Backbone interact. energy: -0.168
local terms energy: -56.917355
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -89.157969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.157969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.157969 (E_RNA)
where:
Base-Base interactions energy: -44.367
where: short stacking energy: -40.218
Base-Backbone interact. energy: -0.143
local terms energy: -44.648565
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -80.263470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.263470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.263470 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -31.170
Base-Backbone interact. energy: -0.627
local terms energy: -48.465790
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -213.981250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.981250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.981250 (E_RNA)
where:
Base-Base interactions energy: -137.316
where: short stacking energy: -61.526
Base-Backbone interact. energy: -1.686
local terms energy: -74.979384
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -209.084585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.084585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.084585 (E_RNA)
where:
Base-Base interactions energy: -133.419
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.100
local terms energy: -75.565970
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -205.641831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.641831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.641831 (E_RNA)
where:
Base-Base interactions energy: -129.697
where: short stacking energy: -52.120
Base-Backbone interact. energy: -1.471
local terms energy: -74.473679
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -160.653411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.653411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.653411 (E_RNA)
where:
Base-Base interactions energy: -87.205
where: short stacking energy: -44.022
Base-Backbone interact. energy: -0.259
local terms energy: -73.189417
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -104.224901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.224901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.224901 (E_RNA)
where:
Base-Base interactions energy: -42.363
where: short stacking energy: -40.595
Base-Backbone interact. energy: -0.104
local terms energy: -61.757556
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -101.632882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.632882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.632882 (E_RNA)
where:
Base-Base interactions energy: -49.434
where: short stacking energy: -42.800
Base-Backbone interact. energy: -0.025
local terms energy: -52.174286
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -101.305652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.305652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.305652 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.113
local terms energy: -61.231554
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -91.111853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.111853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.111853 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -36.528
Base-Backbone interact. energy: -0.073
local terms energy: -53.655240
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -77.249740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.249740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.249740 (E_RNA)
where:
Base-Base interactions energy: -21.341
where: short stacking energy: -21.341
Base-Backbone interact. energy: -0.079
local terms energy: -55.830180
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -89.017914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.017914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.017914 (E_RNA)
where:
Base-Base interactions energy: -38.464
where: short stacking energy: -32.082
Base-Backbone interact. energy: -0.127
local terms energy: -50.427402
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -230.760237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.760237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.760237 (E_RNA)
where:
Base-Base interactions energy: -148.149
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.025
local terms energy: -82.585852
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -211.972234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.972234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.972234 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -53.367
Base-Backbone interact. energy: -0.640
local terms energy: -75.354655
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -212.420056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.420056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.420056 (E_RNA)
where:
Base-Base interactions energy: -139.513
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.326
local terms energy: -72.580795
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -168.728466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.728466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.728466 (E_RNA)
where:
Base-Base interactions energy: -95.220
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.022
local terms energy: -73.486440
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -100.005111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.005111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.005111 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -35.883
Base-Backbone interact. energy: -0.501
local terms energy: -62.852850
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -99.971241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.971241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.971241 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -38.620
Base-Backbone interact. energy: -0.298
local terms energy: -61.053492
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -111.500030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.500030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.500030 (E_RNA)
where:
Base-Base interactions energy: -49.793
where: short stacking energy: -48.503
Base-Backbone interact. energy: -0.132
local terms energy: -61.574897
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -87.925193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.925193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.925193 (E_RNA)
where:
Base-Base interactions energy: -37.065
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.470
local terms energy: -50.390251
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -86.461581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.461581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.461581 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -31.495
Base-Backbone interact. energy: -0.065
local terms energy: -52.717574
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -80.178942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.178942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.178942 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.079
local terms energy: -47.808729
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -222.804317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.804317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.804317 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.366
local terms energy: -84.679382
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -213.751434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751434 (E_RNA)
where:
Base-Base interactions energy: -141.100
where: short stacking energy: -59.082
Base-Backbone interact. energy: 0.053
local terms energy: -72.704240
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -202.938526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.938526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.938526 (E_RNA)
where:
Base-Base interactions energy: -130.081
where: short stacking energy: -63.554
Base-Backbone interact. energy: -0.129
local terms energy: -72.728677
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -132.088076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.088076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.088076 (E_RNA)
where:
Base-Base interactions energy: -64.109
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.061
local terms energy: -67.918428
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -161.507667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.507667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.507667 (E_RNA)
where:
Base-Base interactions energy: -99.312
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.576
local terms energy: -61.619907
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -93.276209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.276209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.276209 (E_RNA)
where:
Base-Base interactions energy: -43.410
where: short stacking energy: -33.342
Base-Backbone interact. energy: -0.138
local terms energy: -49.728546
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -95.849231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.849231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.849231 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.382
local terms energy: -55.292225
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -85.461968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461968 (E_RNA)
where:
Base-Base interactions energy: -40.058
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.098
local terms energy: -45.305729
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -87.427566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.427566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.427566 (E_RNA)
where:
Base-Base interactions energy: -29.261
where: short stacking energy: -29.261
Base-Backbone interact. energy: -0.040
local terms energy: -58.125967
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -76.608227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.608227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.608227 (E_RNA)
where:
Base-Base interactions energy: -31.669
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.338
local terms energy: -44.600817
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -216.610572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.610572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.610572 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.049
local terms energy: -78.567810
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -214.703976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.703976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.703976 (E_RNA)
where:
Base-Base interactions energy: -132.764
where: short stacking energy: -66.640
Base-Backbone interact. energy: -0.105
local terms energy: -81.834412
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -115.971025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.971025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.971025 (E_RNA)
where:
Base-Base interactions energy: -56.841
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.199
local terms energy: -58.931163
where:
bonds (distance) C4'-P energy: -6.435
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -207.313065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.313065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.313065 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.183
local terms energy: -76.436840
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -152.937572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.937572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.937572 (E_RNA)
where:
Base-Base interactions energy: -88.413
where: short stacking energy: -48.992
Base-Backbone interact. energy: 0.432
local terms energy: -64.956761
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -102.112604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.112604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.112604 (E_RNA)
where:
Base-Base interactions energy: -46.794
where: short stacking energy: -43.885
Base-Backbone interact. energy: -0.151
local terms energy: -55.167696
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -7.766
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -95.400174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.400174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.400174 (E_RNA)
where:
Base-Base interactions energy: -34.602
where: short stacking energy: -30.892
Base-Backbone interact. energy: -0.727
local terms energy: -60.071174
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -87.086978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.086978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.086978 (E_RNA)
where:
Base-Base interactions energy: -35.810
where: short stacking energy: -29.419
Base-Backbone interact. energy: 0.103
local terms energy: -51.379791
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -96.869081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.869081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.869081 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -34.983
Base-Backbone interact. energy: 0.081
local terms energy: -57.318865
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -76.139795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.139795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.139795 (E_RNA)
where:
Base-Base interactions energy: -23.651
where: short stacking energy: -19.087
Base-Backbone interact. energy: -0.391
local terms energy: -52.097303
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -209.020276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.020276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.020276 (E_RNA)
where:
Base-Base interactions energy: -127.834
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.024
local terms energy: -81.161873
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -223.004820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.004820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.004820 (E_RNA)
where:
Base-Base interactions energy: -149.821
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.048
local terms energy: -73.135245
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -124.554070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.554070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.554070 (E_RNA)
where:
Base-Base interactions energy: -55.176
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.099
local terms energy: -69.278644
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -201.349242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.349242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.349242 (E_RNA)
where:
Base-Base interactions energy: -121.358
where: short stacking energy: -61.747
Base-Backbone interact. energy: -0.356
local terms energy: -79.635201
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -161.262274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.262274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.262274 (E_RNA)
where:
Base-Base interactions energy: -92.064
where: short stacking energy: -54.474
Base-Backbone interact. energy: -1.339
local terms energy: -67.859858
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -107.481241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.481241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.481241 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.051
local terms energy: -69.353654
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -105.880277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.880277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.880277 (E_RNA)
where:
Base-Base interactions energy: -52.692
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.006
local terms energy: -53.182798
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -93.475601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.475601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.475601 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.403
local terms energy: -51.584917
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -7.836
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -88.303371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.303371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.303371 (E_RNA)
where:
Base-Base interactions energy: -38.685
where: short stacking energy: -34.425
Base-Backbone interact. energy: -0.263
local terms energy: -49.355799
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -5.568
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -75.055348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.055348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.055348 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -21.143
Base-Backbone interact. energy: -1.297
local terms energy: -39.789229
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -214.280592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.280592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.280592 (E_RNA)
where:
Base-Base interactions energy: -140.639
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.166
local terms energy: -73.475684
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -212.052618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.052618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.052618 (E_RNA)
where:
Base-Base interactions energy: -137.132
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.009
local terms energy: -74.911199
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -204.747349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.747349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.747349 (E_RNA)
where:
Base-Base interactions energy: -132.685
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.027
local terms energy: -72.035219
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -127.752896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.752896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.752896 (E_RNA)
where:
Base-Base interactions energy: -59.909
where: short stacking energy: -55.608
Base-Backbone interact. energy: -0.111
local terms energy: -67.732983
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -172.639894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.639894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.639894 (E_RNA)
where:
Base-Base interactions energy: -106.098
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.825
local terms energy: -65.716479
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -112.299794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.299794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.299794 (E_RNA)
where:
Base-Base interactions energy: -49.858
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.053
local terms energy: -62.388667
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -93.383500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.383500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.383500 (E_RNA)
where:
Base-Base interactions energy: -27.138
where: short stacking energy: -15.721
Base-Backbone interact. energy: -2.255
local terms energy: -63.991318
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -88.862349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.862349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.862349 (E_RNA)
where:
Base-Base interactions energy: -35.077
where: short stacking energy: -34.894
Base-Backbone interact. energy: 1.137
local terms energy: -54.922391
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -83.916678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916678 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.221
local terms energy: -50.086693
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: 3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -82.375142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.375142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.375142 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -23.997
Base-Backbone interact. energy: -0.057
local terms energy: -53.905230
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -5.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -216.160889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.160889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.160889 (E_RNA)
where:
Base-Base interactions energy: -141.697
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.004
local terms energy: -74.460092
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -197.633288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.633288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.633288 (E_RNA)
where:
Base-Base interactions energy: -122.108
where: short stacking energy: -53.851
Base-Backbone interact. energy: -0.071
local terms energy: -75.454273
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -211.395909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.395909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.395909 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.175
local terms energy: -75.020908
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -168.331754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.331754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.331754 (E_RNA)
where:
Base-Base interactions energy: -104.496
where: short stacking energy: -57.852
Base-Backbone interact. energy: -0.251
local terms energy: -63.584183
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -108.824490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.824490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.824490 (E_RNA)
where:
Base-Base interactions energy: -40.753
where: short stacking energy: -40.753
Base-Backbone interact. energy: -0.002
local terms energy: -68.069264
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -99.372508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372508 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -30.874
Base-Backbone interact. energy: -0.186
local terms energy: -60.268862
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -83.047661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.047661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.047661 (E_RNA)
where:
Base-Base interactions energy: -34.471
where: short stacking energy: -34.312
Base-Backbone interact. energy: -0.145
local terms energy: -48.431524
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -80.454726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.454726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.454726 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -29.813
Base-Backbone interact. energy: 1.758
local terms energy: -49.318979
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -91.136414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.136414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.136414 (E_RNA)
where:
Base-Base interactions energy: -30.728
where: short stacking energy: -21.693
Base-Backbone interact. energy: -0.163
local terms energy: -60.245000
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -81.190511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.190511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.190511 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -29.024
Base-Backbone interact. energy: -0.151
local terms energy: -52.015192
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -222.490901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.490901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.490901 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.042
local terms energy: -78.474729
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -223.946052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.946052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.946052 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -64.722
Base-Backbone interact. energy: -0.000
local terms energy: -83.207642
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -213.890044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.890044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.890044 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.031
local terms energy: -77.587973
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -166.925074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.925074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.925074 (E_RNA)
where:
Base-Base interactions energy: -94.864
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.617
local terms energy: -71.444743
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -103.428855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.428855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.428855 (E_RNA)
where:
Base-Base interactions energy: -48.703
where: short stacking energy: -48.301
Base-Backbone interact. energy: 0.467
local terms energy: -55.192583
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -119.832896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.832896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.832896 (E_RNA)
where:
Base-Base interactions energy: -56.957
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.183
local terms energy: -62.692953
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -97.400163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400163 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.083
local terms energy: -61.623074
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -92.221655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.221655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.221655 (E_RNA)
where:
Base-Base interactions energy: -35.587
where: short stacking energy: -34.109
Base-Backbone interact. energy: -0.101
local terms energy: -56.534304
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -86.081273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.081273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.081273 (E_RNA)
where:
Base-Base interactions energy: -31.640
where: short stacking energy: -31.640
Base-Backbone interact. energy: -0.098
local terms energy: -54.343274
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -80.220301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.220301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.220301 (E_RNA)
where:
Base-Base interactions energy: -37.050
where: short stacking energy: -21.153
Base-Backbone interact. energy: -0.129
local terms energy: -43.041137
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -219.004173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.004173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.004173 (E_RNA)
where:
Base-Base interactions energy: -135.774
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.015
local terms energy: -83.215303
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -223.101493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.101493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.101493 (E_RNA)
where:
Base-Base interactions energy: -144.096
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.157
local terms energy: -78.849133
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -204.405331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405331 (E_RNA)
where:
Base-Base interactions energy: -127.995
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.126
local terms energy: -76.283953
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -165.443414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.443414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.443414 (E_RNA)
where:
Base-Base interactions energy: -93.585
where: short stacking energy: -56.576
Base-Backbone interact. energy: -0.019
local terms energy: -71.839688
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -107.403226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.403226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.403226 (E_RNA)
where:
Base-Base interactions energy: -44.053
where: short stacking energy: -38.944
Base-Backbone interact. energy: -0.063
local terms energy: -63.288182
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -106.764523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.764523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.764523 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -30.763
Base-Backbone interact. energy: -1.112
local terms energy: -60.934982
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -92.494168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.494168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.494168 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -34.713
Base-Backbone interact. energy: -0.123
local terms energy: -56.523622
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -94.096199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.096199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.096199 (E_RNA)
where:
Base-Base interactions energy: -42.461
where: short stacking energy: -35.317
Base-Backbone interact. energy: -0.177
local terms energy: -51.458028
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -91.784471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784471 (E_RNA)
where:
Base-Base interactions energy: -34.321
where: short stacking energy: -33.870
Base-Backbone interact. energy: -0.292
local terms energy: -57.171546
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -76.188756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.188756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.188756 (E_RNA)
where:
Base-Base interactions energy: -28.565
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.570
local terms energy: -47.054056
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: 2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -222.258346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.258346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.258346 (E_RNA)
where:
Base-Base interactions energy: -144.186
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.080
local terms energy: -77.992438
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -222.132749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.132749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.132749 (E_RNA)
where:
Base-Base interactions energy: -137.614
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.000
local terms energy: -84.518081
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -220.317693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.317693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.317693 (E_RNA)
where:
Base-Base interactions energy: -139.056
where: short stacking energy: -67.187
Base-Backbone interact. energy: -0.002
local terms energy: -81.260085
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -144.626315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.626315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.626315 (E_RNA)
where:
Base-Base interactions energy: -82.542
where: short stacking energy: -51.064
Base-Backbone interact. energy: -0.351
local terms energy: -61.733555
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -112.652653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.652653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.652653 (E_RNA)
where:
Base-Base interactions energy: -49.352
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.881
local terms energy: -62.418885
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -99.649412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.649412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.649412 (E_RNA)
where:
Base-Base interactions energy: -37.065
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.077
local terms energy: -62.508089
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -80.643754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.643754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.643754 (E_RNA)
where:
Base-Base interactions energy: -27.701
where: short stacking energy: -27.701
Base-Backbone interact. energy: -0.262
local terms energy: -52.680709
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: 2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -103.787773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.787773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.787773 (E_RNA)
where:
Base-Base interactions energy: -57.705
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.358
local terms energy: -45.724719
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -82.933652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.933652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.933652 (E_RNA)
where:
Base-Base interactions energy: -29.354
where: short stacking energy: -25.816
Base-Backbone interact. energy: 0.582
local terms energy: -54.161112
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -84.095255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.095255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.095255 (E_RNA)
where:
Base-Base interactions energy: -40.442
where: short stacking energy: -26.889
Base-Backbone interact. energy: 2.555
local terms energy: -46.207774
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: 6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -229.518900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.518900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.518900 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -67.175
Base-Backbone interact. energy: 0.280
local terms energy: -84.054882
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -213.366304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.366304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.366304 (E_RNA)
where:
Base-Base interactions energy: -133.185
where: short stacking energy: -56.903
Base-Backbone interact. energy: -0.520
local terms energy: -79.661696
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -215.699048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699048 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.012
local terms energy: -71.898263
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -148.679054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.679054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.679054 (E_RNA)
where:
Base-Base interactions energy: -87.710
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.129
local terms energy: -60.839612
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -105.429902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.429902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.429902 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -37.839
Base-Backbone interact. energy: -0.503
local terms energy: -62.069689
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -114.580080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.580080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.580080 (E_RNA)
where:
Base-Base interactions energy: -52.279
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.089
local terms energy: -62.212538
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -99.156101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.156101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.156101 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -38.606
Base-Backbone interact. energy: -0.002
local terms energy: -60.409128
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -94.825393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.825393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.825393 (E_RNA)
where:
Base-Base interactions energy: -39.563
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.132
local terms energy: -55.130477
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -97.452475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.452475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.452475 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.017
local terms energy: -63.067842
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -75.513998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.513998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.513998 (E_RNA)
where:
Base-Base interactions energy: -27.853
where: short stacking energy: -15.858
Base-Backbone interact. energy: -0.880
local terms energy: -46.781135
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -8.715
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -224.423406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.423406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.423406 (E_RNA)
where:
Base-Base interactions energy: -146.054
where: short stacking energy: -70.314
Base-Backbone interact. energy: 0.531
local terms energy: -78.899954
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -206.713339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.713339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.713339 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.168
local terms energy: -77.648450
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -213.140764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.140764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.140764 (E_RNA)
where:
Base-Base interactions energy: -131.879
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.281
local terms energy: -80.980516
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -158.611061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.611061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.611061 (E_RNA)
where:
Base-Base interactions energy: -92.911
where: short stacking energy: -40.277
Base-Backbone interact. energy: -0.619
local terms energy: -65.081663
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -110.304234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.304234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.304234 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -35.845
Base-Backbone interact. energy: -0.586
local terms energy: -63.250854
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -106.882585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.882585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.882585 (E_RNA)
where:
Base-Base interactions energy: -48.023
where: short stacking energy: -23.891
Base-Backbone interact. energy: -0.659
local terms energy: -58.200845
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -86.861728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.861728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.861728 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -27.062
Base-Backbone interact. energy: -0.102
local terms energy: -54.360546
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -85.087791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.087791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.087791 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -29.798
Base-Backbone interact. energy: 0.146
local terms energy: -52.014081
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -83.787184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.787184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.787184 (E_RNA)
where:
Base-Base interactions energy: -34.688
where: short stacking energy: -23.634
Base-Backbone interact. energy: -0.105
local terms energy: -48.994373
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -83.749323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.749323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.749323 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -25.786
Base-Backbone interact. energy: -0.843
local terms energy: -53.989417
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -222.616186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.616186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.616186 (E_RNA)
where:
Base-Base interactions energy: -141.429
where: short stacking energy: -73.198
Base-Backbone interact. energy: -0.576
local terms energy: -80.610486
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -219.249342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.249342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.249342 (E_RNA)
where:
Base-Base interactions energy: -138.893
where: short stacking energy: -70.246
Base-Backbone interact. energy: -0.000
local terms energy: -80.355804
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -205.219871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219871 (E_RNA)
where:
Base-Base interactions energy: -122.688
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.434
local terms energy: -82.096961
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -172.972983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.972983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.972983 (E_RNA)
where:
Base-Base interactions energy: -101.518
where: short stacking energy: -49.960
Base-Backbone interact. energy: -1.025
local terms energy: -70.430842
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -110.578845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.578845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.578845 (E_RNA)
where:
Base-Base interactions energy: -51.763
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.306
local terms energy: -58.509372
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -104.557091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.557091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.557091 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.169
local terms energy: -64.303966
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -83.858667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.858667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.858667 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.456
local terms energy: -51.594364
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -89.244833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.244833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.244833 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -32.218
Base-Backbone interact. energy: -1.632
local terms energy: -52.809260
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -78.033669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.033669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.033669 (E_RNA)
where:
Base-Base interactions energy: -23.225
where: short stacking energy: -17.923
Base-Backbone interact. energy: -0.272
local terms energy: -54.537316
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -105.449884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.449884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.449884 (E_RNA)
where:
Base-Base interactions energy: -57.581
where: short stacking energy: -39.468
Base-Backbone interact. energy: -0.350
local terms energy: -47.518385
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -229.419979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.419979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.419979 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.051
local terms energy: -82.703889
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -225.712399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.712399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.712399 (E_RNA)
where:
Base-Base interactions energy: -148.576
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.003
local terms energy: -77.132974
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -206.457999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.457999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.457999 (E_RNA)
where:
Base-Base interactions energy: -132.612
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.023
local terms energy: -73.823359
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -174.412803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.412803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.412803 (E_RNA)
where:
Base-Base interactions energy: -101.176
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.328
local terms energy: -72.908507
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -99.907949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.907949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.907949 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.299
local terms energy: -57.774562
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -100.798268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.798268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.798268 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -35.307
Base-Backbone interact. energy: -0.357
local terms energy: -65.124621
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -101.536419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.536419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.536419 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -37.414
Base-Backbone interact. energy: -0.395
local terms energy: -63.204835
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -90.399129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.399129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.399129 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -31.017
Base-Backbone interact. energy: -0.244
local terms energy: -54.416363
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -88.735563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.735563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.735563 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.470
local terms energy: -54.718892
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -90.973878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.973878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.973878 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -33.884
Base-Backbone interact. energy: 0.086
local terms energy: -52.031606
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: 2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -221.723763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723763 (E_RNA)
where:
Base-Base interactions energy: -138.918
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.303
local terms energy: -82.502840
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -218.227023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227023 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -68.403
Base-Backbone interact. energy: -0.367
local terms energy: -79.449563
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -209.353761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353761 (E_RNA)
where:
Base-Base interactions energy: -134.679
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.592
local terms energy: -74.082604
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -164.474892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.474892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.474892 (E_RNA)
where:
Base-Base interactions energy: -92.974
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.017
local terms energy: -71.484212
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -103.514160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.514160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.514160 (E_RNA)
where:
Base-Base interactions energy: -36.751
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.072
local terms energy: -66.691370
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -116.808247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.808247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.808247 (E_RNA)
where:
Base-Base interactions energy: -50.768
where: short stacking energy: -37.221
Base-Backbone interact. energy: -0.135
local terms energy: -65.904498
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -92.148406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.148406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.148406 (E_RNA)
where:
Base-Base interactions energy: -45.440
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.169
local terms energy: -46.539169
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -93.652154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652154 (E_RNA)
where:
Base-Base interactions energy: -46.022
where: short stacking energy: -31.064
Base-Backbone interact. energy: -1.561
local terms energy: -46.068693
where:
bonds (distance) C4'-P energy: -6.840
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: 0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -88.069753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.069753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.069753 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -31.882
Base-Backbone interact. energy: 0.158
local terms energy: -52.490642
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -85.161555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.161555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.161555 (E_RNA)
where:
Base-Base interactions energy: -34.902
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.223
local terms energy: -50.036244
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -232.526935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.526935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.526935 (E_RNA)
where:
Base-Base interactions energy: -147.413
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.001
local terms energy: -85.112514
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -216.455210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.455210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.455210 (E_RNA)
where:
Base-Base interactions energy: -142.705
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.086
local terms energy: -73.664112
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -210.244613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.244613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.244613 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -67.124
Base-Backbone interact. energy: 0.145
local terms energy: -78.258162
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -154.545621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.545621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.545621 (E_RNA)
where:
Base-Base interactions energy: -96.811
where: short stacking energy: -43.057
Base-Backbone interact. energy: -0.002
local terms energy: -57.732979
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -124.689851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.689851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.689851 (E_RNA)
where:
Base-Base interactions energy: -53.393
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.136
local terms energy: -71.160476
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -113.429736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.429736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.429736 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.103
local terms energy: -68.444486
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -99.313081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.313081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.313081 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -33.412
Base-Backbone interact. energy: -1.252
local terms energy: -58.863774
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -103.844073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.844073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.844073 (E_RNA)
where:
Base-Base interactions energy: -50.653
where: short stacking energy: -37.374
Base-Backbone interact. energy: -1.017
local terms energy: -52.174224
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -88.881654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.881654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.881654 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.578
local terms energy: -51.445630
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -81.836406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.836406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.836406 (E_RNA)
where:
Base-Base interactions energy: -27.264
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.100
local terms energy: -54.472326
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -228.492820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.492820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.492820 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -77.008
Base-Backbone interact. energy: -0.000
local terms energy: -79.816814
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -213.608608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.608608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.608608 (E_RNA)
where:
Base-Base interactions energy: -136.126
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.002
local terms energy: -77.480158
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -212.153523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.153523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.153523 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.568
local terms energy: -71.376627
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -171.257573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.257573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.257573 (E_RNA)
where:
Base-Base interactions energy: -95.719
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.047
local terms energy: -75.491440
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -107.018941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.018941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.018941 (E_RNA)
where:
Base-Base interactions energy: -52.237
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.024
local terms energy: -54.757612
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -118.005002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.005002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.005002 (E_RNA)
where:
Base-Base interactions energy: -62.894
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.170
local terms energy: -54.940582
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -94.382189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.382189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.382189 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.356
local terms energy: -55.304911
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -87.226125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.226125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.226125 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.370
local terms energy: -49.619228
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -83.434998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.434998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.434998 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.210
local terms energy: -52.831188
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -86.599327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.599327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.599327 (E_RNA)
where:
Base-Base interactions energy: -23.828
where: short stacking energy: -23.828
Base-Backbone interact. energy: -0.019
local terms energy: -62.752489
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -229.383434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.383434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.383434 (E_RNA)
where:
Base-Base interactions energy: -151.348
where: short stacking energy: -70.415
Base-Backbone interact. energy: -0.005
local terms energy: -78.030510
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -218.927972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.927972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.927972 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.001
local terms energy: -79.218401
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -193.816577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.816577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816577 (E_RNA)
where:
Base-Base interactions energy: -114.928
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.638
local terms energy: -78.251155
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -174.154732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.154732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.154732 (E_RNA)
where:
Base-Base interactions energy: -114.519
where: short stacking energy: -55.833
Base-Backbone interact. energy: -1.697
local terms energy: -57.939125
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -109.903990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.903990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.903990 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.922
local terms energy: -64.145985
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -98.506532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.506532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.506532 (E_RNA)
where:
Base-Base interactions energy: -43.740
where: short stacking energy: -35.665
Base-Backbone interact. energy: 0.121
local terms energy: -54.887946
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -87.722424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722424 (E_RNA)
where:
Base-Base interactions energy: -33.603
where: short stacking energy: -31.776
Base-Backbone interact. energy: -0.855
local terms energy: -53.265134
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -81.761548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.761548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.761548 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.268
local terms energy: -50.209712
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -91.606983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606983 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -29.971
Base-Backbone interact. energy: -0.170
local terms energy: -56.348885
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -88.825973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825973 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.018
local terms energy: -50.381744
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -225.453824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.453824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.453824 (E_RNA)
where:
Base-Base interactions energy: -142.254
where: short stacking energy: -64.089
Base-Backbone interact. energy: -0.001
local terms energy: -83.198595
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -223.660705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.660705 (E_RNA)
where:
Base-Base interactions energy: -145.365
where: short stacking energy: -69.063
Base-Backbone interact. energy: 0.288
local terms energy: -78.583150
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -220.603801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.603801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.603801 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -71.304
Base-Backbone interact. energy: -0.565
local terms energy: -84.175200
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -172.088706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.088706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.088706 (E_RNA)
where:
Base-Base interactions energy: -105.395
where: short stacking energy: -44.598
Base-Backbone interact. energy: -0.399
local terms energy: -66.295219
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -106.204299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.204299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.204299 (E_RNA)
where:
Base-Base interactions energy: -47.382
where: short stacking energy: -35.996
Base-Backbone interact. energy: -0.090
local terms energy: -58.733003
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -104.509902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.509902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.509902 (E_RNA)
where:
Base-Base interactions energy: -46.506
where: short stacking energy: -46.506
Base-Backbone interact. energy: -0.004
local terms energy: -57.999885
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -103.017659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017659 (E_RNA)
where:
Base-Base interactions energy: -37.456
where: short stacking energy: -36.408
Base-Backbone interact. energy: -0.277
local terms energy: -65.284822
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -83.341048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.341048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.341048 (E_RNA)
where:
Base-Base interactions energy: -30.119
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.840
local terms energy: -52.381888
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -88.449827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.449827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.449827 (E_RNA)
where:
Base-Base interactions energy: -30.128
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.117
local terms energy: -58.204794
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -94.601744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.601744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.601744 (E_RNA)
where:
Base-Base interactions energy: -32.063
where: short stacking energy: -32.063
Base-Backbone interact. energy: -0.053
local terms energy: -62.485932
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -228.271304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.271304 (E_RNA)
where:
Base-Base interactions energy: -145.818
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.041
local terms energy: -82.412809
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -223.056851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.056851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.056851 (E_RNA)
where:
Base-Base interactions energy: -147.189
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.185
local terms energy: -75.682806
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -205.990949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.990949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.990949 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -57.925
Base-Backbone interact. energy: -0.079
local terms energy: -73.477713
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -186.495587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.495587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.495587 (E_RNA)
where:
Base-Base interactions energy: -119.607
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.082
local terms energy: -66.806623
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -100.795016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.795016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.795016 (E_RNA)
where:
Base-Base interactions energy: -43.988
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.008
local terms energy: -56.798094
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -90.664217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.664217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.664217 (E_RNA)
where:
Base-Base interactions energy: -45.589
where: short stacking energy: -43.335
Base-Backbone interact. energy: -0.238
local terms energy: -44.837820
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -99.082246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.082246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.082246 (E_RNA)
where:
Base-Base interactions energy: -46.755
where: short stacking energy: -42.721
Base-Backbone interact. energy: -0.201
local terms energy: -52.125744
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -109.597163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.597163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.597163 (E_RNA)
where:
Base-Base interactions energy: -51.128
where: short stacking energy: -42.349
Base-Backbone interact. energy: -0.042
local terms energy: -58.427859
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -87.495210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.495210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.495210 (E_RNA)
where:
Base-Base interactions energy: -25.542
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.153
local terms energy: -61.799920
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -79.953819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.953819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.953819 (E_RNA)
where:
Base-Base interactions energy: -26.657
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.072
local terms energy: -53.224034
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -234.093258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.093258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.093258 (E_RNA)
where:
Base-Base interactions energy: -149.562
where: short stacking energy: -73.283
Base-Backbone interact. energy: 0.034
local terms energy: -84.564888
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -206.671708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.671708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.671708 (E_RNA)
where:
Base-Base interactions energy: -135.576
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.018
local terms energy: -71.076960
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -213.526557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.526557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.526557 (E_RNA)
where:
Base-Base interactions energy: -139.012
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.688
local terms energy: -73.826050
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -167.702759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.702759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.702759 (E_RNA)
where:
Base-Base interactions energy: -101.442
where: short stacking energy: -44.812
Base-Backbone interact. energy: -1.128
local terms energy: -65.132794
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -105.767167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.767167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.767167 (E_RNA)
where:
Base-Base interactions energy: -40.012
where: short stacking energy: -39.541
Base-Backbone interact. energy: -0.096
local terms energy: -65.659608
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -96.717941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.717941 (E_RNA)
where:
Base-Base interactions energy: -35.440
where: short stacking energy: -35.440
Base-Backbone interact. energy: -1.255
local terms energy: -60.023650
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -90.687196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.687196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.687196 (E_RNA)
where:
Base-Base interactions energy: -51.042
where: short stacking energy: -41.691
Base-Backbone interact. energy: 0.288
local terms energy: -39.933593
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -87.491383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.491383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.491383 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -29.651
Base-Backbone interact. energy: 0.251
local terms energy: -58.091448
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -89.661519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.661519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.661519 (E_RNA)
where:
Base-Base interactions energy: -45.738
where: short stacking energy: -30.985
Base-Backbone interact. energy: 0.362
local terms energy: -44.285995
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -80.401819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401819 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.037
local terms energy: -49.663199
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -7.251
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -228.952549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.952549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.952549 (E_RNA)
where:
Base-Base interactions energy: -148.780
where: short stacking energy: -78.666
Base-Backbone interact. energy: -0.003
local terms energy: -80.169155
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -210.934552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.934552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.934552 (E_RNA)
where:
Base-Base interactions energy: -137.988
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.009
local terms energy: -72.938013
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -225.494920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.494920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.494920 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -67.547
Base-Backbone interact. energy: -0.003
local terms energy: -79.678804
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -179.746648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746648 (E_RNA)
where:
Base-Base interactions energy: -106.594
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.098
local terms energy: -73.054069
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -112.809041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.809041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.809041 (E_RNA)
where:
Base-Base interactions energy: -55.347
where: short stacking energy: -43.268
Base-Backbone interact. energy: -0.127
local terms energy: -57.334901
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -103.657924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.657924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.657924 (E_RNA)
where:
Base-Base interactions energy: -44.106
where: short stacking energy: -31.567
Base-Backbone interact. energy: -0.093
local terms energy: -59.458174
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -107.824273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.824273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.824273 (E_RNA)
where:
Base-Base interactions energy: -62.712
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.037
local terms energy: -45.074703
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -96.221017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.221017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.221017 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -25.021
Base-Backbone interact. energy: -0.302
local terms energy: -55.791312
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -89.206885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.206885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.206885 (E_RNA)
where:
Base-Base interactions energy: -31.856
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.324
local terms energy: -57.027350
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -11.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -75.964134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.964134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.964134 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -29.528
Base-Backbone interact. energy: 0.060
local terms energy: -43.517110
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -220.431128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.431128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.431128 (E_RNA)
where:
Base-Base interactions energy: -142.636
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.002
local terms energy: -77.792871
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -220.659036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.659036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.659036 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.103
local terms energy: -78.484646
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -205.263224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.263224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.263224 (E_RNA)
where:
Base-Base interactions energy: -138.033
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.023
local terms energy: -67.207687
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -169.147595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.147595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.147595 (E_RNA)
where:
Base-Base interactions energy: -101.494
where: short stacking energy: -59.755
Base-Backbone interact. energy: -2.631
local terms energy: -65.021914
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -124.734524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.734524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.734524 (E_RNA)
where:
Base-Base interactions energy: -60.438
where: short stacking energy: -56.998
Base-Backbone interact. energy: -0.019
local terms energy: -64.277515
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -101.205712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.205712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.205712 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -31.348
Base-Backbone interact. energy: -0.026
local terms energy: -59.107510
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -91.193261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193261 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.150
local terms energy: -55.675215
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -93.128011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.128011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.128011 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -33.642
Base-Backbone interact. energy: -0.087
local terms energy: -59.993193
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -76.981007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.981007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.981007 (E_RNA)
where:
Base-Base interactions energy: -29.744
where: short stacking energy: -27.656
Base-Backbone interact. energy: 0.083
local terms energy: -47.320631
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.318785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.318785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.318785 (E_RNA)
where:
Base-Base interactions energy: -26.128
where: short stacking energy: -18.813
Base-Backbone interact. energy: 0.531
local terms energy: -52.722421
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: 1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -223.795610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.795610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.795610 (E_RNA)
where:
Base-Base interactions energy: -145.185
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.123
local terms energy: -78.487684
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -219.035212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.035212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.035212 (E_RNA)
where:
Base-Base interactions energy: -139.854
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.371
local terms energy: -78.810002
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -206.852152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.852152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.852152 (E_RNA)
where:
Base-Base interactions energy: -121.547
where: short stacking energy: -53.413
Base-Backbone interact. energy: -0.552
local terms energy: -84.753139
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -179.075759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.075759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.075759 (E_RNA)
where:
Base-Base interactions energy: -102.720
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.017
local terms energy: -76.338559
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -101.004063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.004063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.004063 (E_RNA)
where:
Base-Base interactions energy: -51.018
where: short stacking energy: -51.018
Base-Backbone interact. energy: -0.133
local terms energy: -49.853038
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -111.770782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.770782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.770782 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -48.349
Base-Backbone interact. energy: -0.108
local terms energy: -60.920338
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -93.253060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.253060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.253060 (E_RNA)
where:
Base-Base interactions energy: -34.251
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.061
local terms energy: -58.941027
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -91.325265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.325265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.325265 (E_RNA)
where:
Base-Base interactions energy: -30.597
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.313
local terms energy: -60.415092
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -79.500361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.500361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.500361 (E_RNA)
where:
Base-Base interactions energy: -37.357
where: short stacking energy: -27.850
Base-Backbone interact. energy: 1.702
local terms energy: -43.845639
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -82.750753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750753 (E_RNA)
where:
Base-Base interactions energy: -30.919
where: short stacking energy: -30.919
Base-Backbone interact. energy: -1.224
local terms energy: -50.607801
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -226.819443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.819443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.819443 (E_RNA)
where:
Base-Base interactions energy: -144.417
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.018
local terms energy: -82.383637
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -216.050786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.050786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.050786 (E_RNA)
where:
Base-Base interactions energy: -135.350
where: short stacking energy: -71.274
Base-Backbone interact. energy: -0.061
local terms energy: -80.639194
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -172.551777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.551777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.551777 (E_RNA)
where:
Base-Base interactions energy: -107.530
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.778
local terms energy: -64.243546
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -161.670055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.670055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.670055 (E_RNA)
where:
Base-Base interactions energy: -94.846
where: short stacking energy: -54.925
Base-Backbone interact. energy: 0.125
local terms energy: -66.948826
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -107.719673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.719673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.719673 (E_RNA)
where:
Base-Base interactions energy: -47.378
where: short stacking energy: -34.221
Base-Backbone interact. energy: -0.218
local terms energy: -60.123688
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -109.554549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.554549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.554549 (E_RNA)
where:
Base-Base interactions energy: -52.952
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.033
local terms energy: -56.569890
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -104.350752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.350752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.350752 (E_RNA)
where:
Base-Base interactions energy: -46.871
where: short stacking energy: -37.487
Base-Backbone interact. energy: -0.198
local terms energy: -57.281686
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -90.182196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.182196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.182196 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.103
local terms energy: -48.089303
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -80.014808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.014808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.014808 (E_RNA)
where:
Base-Base interactions energy: -25.378
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.185
local terms energy: -54.451905
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -80.419279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.419279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.419279 (E_RNA)
where:
Base-Base interactions energy: -28.948
where: short stacking energy: -28.948
Base-Backbone interact. energy: 1.772
local terms energy: -53.243106
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -224.324043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.324043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.324043 (E_RNA)
where:
Base-Base interactions energy: -132.873
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.587
local terms energy: -90.863854
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -230.065359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.065359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.065359 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.105
local terms energy: -83.404018
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -186.470502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.470502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.470502 (E_RNA)
where:
Base-Base interactions energy: -121.177
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.215
local terms energy: -65.078428
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -155.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.966477 (E_RNA)
where:
Base-Base interactions energy: -91.941
where: short stacking energy: -52.016
Base-Backbone interact. energy: -0.022
local terms energy: -64.003794
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -114.216758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.216758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.216758 (E_RNA)
where:
Base-Base interactions energy: -53.117
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.631
local terms energy: -60.469211
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -106.799007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.799007 (E_RNA)
where:
Base-Base interactions energy: -49.203
where: short stacking energy: -40.009
Base-Backbone interact. energy: -0.358
local terms energy: -57.238195
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -107.134957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.134957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.134957 (E_RNA)
where:
Base-Base interactions energy: -41.685
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.625
local terms energy: -64.825133
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -104.703144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.703144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.703144 (E_RNA)
where:
Base-Base interactions energy: -49.107
where: short stacking energy: -45.475
Base-Backbone interact. energy: -0.151
local terms energy: -55.445208
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -121.803435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.803435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.803435 (E_RNA)
where:
Base-Base interactions energy: -70.368
where: short stacking energy: -37.510
Base-Backbone interact. energy: -0.341
local terms energy: -51.094725
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -82.845974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.845974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.845974 (E_RNA)
where:
Base-Base interactions energy: -31.150
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.324
local terms energy: -51.371772
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -225.330586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.330586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.330586 (E_RNA)
where:
Base-Base interactions energy: -138.825
where: short stacking energy: -64.620
Base-Backbone interact. energy: -1.394
local terms energy: -85.111368
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -180.104209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.104209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.104209 (E_RNA)
where:
Base-Base interactions energy: -105.743
where: short stacking energy: -50.938
Base-Backbone interact. energy: -0.113
local terms energy: -74.249091
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -220.974113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.974113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.974113 (E_RNA)
where:
Base-Base interactions energy: -138.307
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.001
local terms energy: -82.665895
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -154.756547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.756547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.756547 (E_RNA)
where:
Base-Base interactions energy: -94.602
where: short stacking energy: -48.930
Base-Backbone interact. energy: -0.012
local terms energy: -60.142803
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -6.975
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -117.097929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.097929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.097929 (E_RNA)
where:
Base-Base interactions energy: -59.648
where: short stacking energy: -44.076
Base-Backbone interact. energy: -0.311
local terms energy: -57.139298
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -109.945224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.945224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.945224 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -41.611
Base-Backbone interact. energy: -0.037
local terms energy: -63.092490
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -85.701411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.701411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.701411 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.049
local terms energy: -51.426196
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -87.141117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.141117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.141117 (E_RNA)
where:
Base-Base interactions energy: -38.049
where: short stacking energy: -31.051
Base-Backbone interact. energy: -0.251
local terms energy: -48.841079
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -78.325539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.325539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.325539 (E_RNA)
where:
Base-Base interactions energy: -31.277
where: short stacking energy: -31.258
Base-Backbone interact. energy: -0.176
local terms energy: -46.872650
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -2.360
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -70.262823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.262823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.262823 (E_RNA)
where:
Base-Base interactions energy: -28.129
where: short stacking energy: -17.467
Base-Backbone interact. energy: -0.228
local terms energy: -41.906257
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: 6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -226.307566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307566 (E_RNA)
where:
Base-Base interactions energy: -143.320
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.613
local terms energy: -82.374288
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -182.833101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.833101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.833101 (E_RNA)
where:
Base-Base interactions energy: -110.269
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.229
local terms energy: -72.335136
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -215.655004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.655004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.655004 (E_RNA)
where:
Base-Base interactions energy: -132.163
where: short stacking energy: -67.779
Base-Backbone interact. energy: -0.114
local terms energy: -83.378694
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -184.415553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.415553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.415553 (E_RNA)
where:
Base-Base interactions energy: -114.438
where: short stacking energy: -48.639
Base-Backbone interact. energy: -0.042
local terms energy: -69.935274
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -112.305156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.305156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.305156 (E_RNA)
where:
Base-Base interactions energy: -53.836
where: short stacking energy: -44.439
Base-Backbone interact. energy: -0.164
local terms energy: -58.305609
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -106.461210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.461210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.461210 (E_RNA)
where:
Base-Base interactions energy: -47.074
where: short stacking energy: -34.546
Base-Backbone interact. energy: -0.699
local terms energy: -58.687783
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -99.395178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.395178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.395178 (E_RNA)
where:
Base-Base interactions energy: -43.190
where: short stacking energy: -33.323
Base-Backbone interact. energy: -0.006
local terms energy: -56.199276
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -85.152746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.152746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.152746 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -32.379
Base-Backbone interact. energy: -0.043
local terms energy: -52.730538
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -93.927198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.927198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.927198 (E_RNA)
where:
Base-Base interactions energy: -37.835
where: short stacking energy: -37.835
Base-Backbone interact. energy: 0.546
local terms energy: -56.638544
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -76.649744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.649744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.649744 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -22.953
Base-Backbone interact. energy: 4.367
local terms energy: -54.901338
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: 3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -212.449595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.449595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.449595 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.320
local terms energy: -79.895012
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -224.319937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.319937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.319937 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.000
local terms energy: -81.630273
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -169.058922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.058922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.058922 (E_RNA)
where:
Base-Base interactions energy: -103.415
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.359
local terms energy: -65.284662
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -198.801177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.801177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.801177 (E_RNA)
where:
Base-Base interactions energy: -127.988
where: short stacking energy: -63.200
Base-Backbone interact. energy: -0.054
local terms energy: -70.760013
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -100.554591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554591 (E_RNA)
where:
Base-Base interactions energy: -45.793
where: short stacking energy: -28.693
Base-Backbone interact. energy: 1.466
local terms energy: -56.227315
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -103.673248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.673248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.673248 (E_RNA)
where:
Base-Base interactions energy: -47.472
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.003
local terms energy: -56.198369
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -86.664377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664377 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -30.706
Base-Backbone interact. energy: 2.188
local terms energy: -55.887600
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -93.839090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839090 (E_RNA)
where:
Base-Base interactions energy: -40.242
where: short stacking energy: -40.242
Base-Backbone interact. energy: -0.072
local terms energy: -53.525788
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -91.626862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.626862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.626862 (E_RNA)
where:
Base-Base interactions energy: -37.202
where: short stacking energy: -37.202
Base-Backbone interact. energy: -0.118
local terms energy: -54.306945
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.571220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.571220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.571220 (E_RNA)
where:
Base-Base interactions energy: -24.318
where: short stacking energy: -22.994
Base-Backbone interact. energy: -0.094
local terms energy: -50.158985
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -224.973246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.973246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.973246 (E_RNA)
where:
Base-Base interactions energy: -141.062
where: short stacking energy: -68.728
Base-Backbone interact. energy: -0.081
local terms energy: -83.830511
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -218.827306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.827306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.827306 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.587
local terms energy: -76.664843
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -177.505163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.505163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.505163 (E_RNA)
where:
Base-Base interactions energy: -110.079
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.209
local terms energy: -67.217403
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -144.771249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.771249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.771249 (E_RNA)
where:
Base-Base interactions energy: -80.132
where: short stacking energy: -45.224
Base-Backbone interact. energy: -0.246
local terms energy: -64.393459
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -129.081807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.081807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.081807 (E_RNA)
where:
Base-Base interactions energy: -67.070
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.506
local terms energy: -61.505673
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -96.696146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.696146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.696146 (E_RNA)
where:
Base-Base interactions energy: -45.648
where: short stacking energy: -45.648
Base-Backbone interact. energy: -0.014
local terms energy: -51.034397
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -81.371692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.371692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.371692 (E_RNA)
where:
Base-Base interactions energy: -22.127
where: short stacking energy: -20.640
Base-Backbone interact. energy: 0.389
local terms energy: -59.633928
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -85.600639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.600639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.600639 (E_RNA)
where:
Base-Base interactions energy: -27.358
where: short stacking energy: -27.300
Base-Backbone interact. energy: 0.353
local terms energy: -58.595516
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -85.983334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.983334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.983334 (E_RNA)
where:
Base-Base interactions energy: -34.502
where: short stacking energy: -26.818
Base-Backbone interact. energy: 0.010
local terms energy: -51.491829
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -76.489197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.489197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.489197 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -32.348
Base-Backbone interact. energy: 0.855
local terms energy: -44.971984
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -220.599893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599893 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.376
local terms energy: -81.866450
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -183.548620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.548620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.548620 (E_RNA)
where:
Base-Base interactions energy: -118.401
where: short stacking energy: -49.920
Base-Backbone interact. energy: -0.932
local terms energy: -64.216128
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -198.432347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.432347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432347 (E_RNA)
where:
Base-Base interactions energy: -124.303
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.108
local terms energy: -74.020758
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -156.005967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.005967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.005967 (E_RNA)
where:
Base-Base interactions energy: -86.512
where: short stacking energy: -52.413
Base-Backbone interact. energy: 0.736
local terms energy: -70.229976
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -156.916945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.916945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.916945 (E_RNA)
where:
Base-Base interactions energy: -92.512
where: short stacking energy: -44.226
Base-Backbone interact. energy: -0.031
local terms energy: -64.373692
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -103.187179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.187179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.187179 (E_RNA)
where:
Base-Base interactions energy: -42.475
where: short stacking energy: -38.814
Base-Backbone interact. energy: -0.007
local terms energy: -60.704978
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -103.518191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.518191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.518191 (E_RNA)
where:
Base-Base interactions energy: -46.045
where: short stacking energy: -42.924
Base-Backbone interact. energy: -0.141
local terms energy: -57.331479
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -80.524603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.524603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.524603 (E_RNA)
where:
Base-Base interactions energy: -39.729
where: short stacking energy: -32.627
Base-Backbone interact. energy: -0.135
local terms energy: -40.659689
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -5.182
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -106.547457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.547457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.547457 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -38.625
Base-Backbone interact. energy: 0.527
local terms energy: -59.407301
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.765228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.765228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.765228 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.351
local terms energy: -49.670927
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -195.795207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.795207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.795207 (E_RNA)
where:
Base-Base interactions energy: -131.568
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.600
local terms energy: -63.627063
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -211.868498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.868498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.868498 (E_RNA)
where:
Base-Base interactions energy: -130.324
where: short stacking energy: -58.542
Base-Backbone interact. energy: -0.009
local terms energy: -81.534785
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -175.359942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.359942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.359942 (E_RNA)
where:
Base-Base interactions energy: -100.162
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.040
local terms energy: -75.158137
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -135.513984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.513984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.513984 (E_RNA)
where:
Base-Base interactions energy: -78.084
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.153
local terms energy: -57.277181
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -157.885902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.885902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.885902 (E_RNA)
where:
Base-Base interactions energy: -91.650
where: short stacking energy: -33.113
Base-Backbone interact. energy: -1.342
local terms energy: -64.894062
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -106.844676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.844676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.844676 (E_RNA)
where:
Base-Base interactions energy: -50.161
where: short stacking energy: -43.356
Base-Backbone interact. energy: 2.967
local terms energy: -59.650508
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -103.579219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.579219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.579219 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -36.358
Base-Backbone interact. energy: 0.690
local terms energy: -63.967942
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -105.658641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.658641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.658641 (E_RNA)
where:
Base-Base interactions energy: -52.968
where: short stacking energy: -47.262
Base-Backbone interact. energy: -0.099
local terms energy: -52.592528
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -83.178027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.178027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.178027 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -32.906
Base-Backbone interact. energy: 2.435
local terms energy: -52.706394
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: 0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -83.548083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.548083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.548083 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.061
local terms energy: -53.329701
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -199.670069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.670069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.670069 (E_RNA)
where:
Base-Base interactions energy: -125.824
where: short stacking energy: -54.598
Base-Backbone interact. energy: 1.860
local terms energy: -75.706028
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -221.720906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.720906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.720906 (E_RNA)
where:
Base-Base interactions energy: -137.615
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.007
local terms energy: -84.098969
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -176.155586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.155586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.155586 (E_RNA)
where:
Base-Base interactions energy: -109.568
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.112
local terms energy: -66.475326
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -189.989704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.989704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.989704 (E_RNA)
where:
Base-Base interactions energy: -117.892
where: short stacking energy: -56.239
Base-Backbone interact. energy: -0.122
local terms energy: -71.975815
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -136.274646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.274646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.274646 (E_RNA)
where:
Base-Base interactions energy: -71.409
where: short stacking energy: -42.481
Base-Backbone interact. energy: -0.969
local terms energy: -63.896837
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -97.327191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.327191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.327191 (E_RNA)
where:
Base-Base interactions energy: -34.837
where: short stacking energy: -31.490
Base-Backbone interact. energy: 0.101
local terms energy: -62.591028
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -113.639302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.639302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.639302 (E_RNA)
where:
Base-Base interactions energy: -50.978
where: short stacking energy: -46.915
Base-Backbone interact. energy: -0.090
local terms energy: -62.571059
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -80.019973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.019973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.019973 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -24.660
Base-Backbone interact. energy: -0.063
local terms energy: -49.368680
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -82.529874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.529874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.529874 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -20.444
Base-Backbone interact. energy: -0.187
local terms energy: -47.069331
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: 3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -74.953367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.953367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.953367 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -30.582
Base-Backbone interact. energy: -0.135
local terms energy: -44.236738
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -223.928405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.928405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.928405 (E_RNA)
where:
Base-Base interactions energy: -138.990
where: short stacking energy: -62.422
Base-Backbone interact. energy: -2.340
local terms energy: -82.598164
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -198.733819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.733819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.733819 (E_RNA)
where:
Base-Base interactions energy: -126.143
where: short stacking energy: -47.377
Base-Backbone interact. energy: -1.626
local terms energy: -70.964953
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -190.701311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.701311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.701311 (E_RNA)
where:
Base-Base interactions energy: -119.311
where: short stacking energy: -63.800
Base-Backbone interact. energy: -1.406
local terms energy: -69.984158
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -182.037964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.037964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.037964 (E_RNA)
where:
Base-Base interactions energy: -117.923
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.110
local terms energy: -64.004753
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -6.399
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -112.594490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.594490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.594490 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.269
local terms energy: -70.767964
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -100.600688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.600688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.600688 (E_RNA)
where:
Base-Base interactions energy: -44.248
where: short stacking energy: -21.097
Base-Backbone interact. energy: -0.088
local terms energy: -56.265064
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -91.649869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649869 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -26.275
Base-Backbone interact. energy: -0.050
local terms energy: -55.805951
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -80.162055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.162055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.162055 (E_RNA)
where:
Base-Base interactions energy: -22.999
where: short stacking energy: -22.917
Base-Backbone interact. energy: 0.148
local terms energy: -57.310646
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -79.559354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.559354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.559354 (E_RNA)
where:
Base-Base interactions energy: -38.866
where: short stacking energy: -30.883
Base-Backbone interact. energy: -0.258
local terms energy: -40.434939
where:
bonds (distance) C4'-P energy: -6.509
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -77.570215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.570215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.570215 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -34.836
Base-Backbone interact. energy: -0.159
local terms energy: -41.020651
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -9.223
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -207.107638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.107638 (E_RNA)
where:
Base-Base interactions energy: -131.531
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.004
local terms energy: -75.572980
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -208.146914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.146914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.146914 (E_RNA)
where:
Base-Base interactions energy: -120.602
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.628
local terms energy: -86.916880
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -201.014389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.014389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.014389 (E_RNA)
where:
Base-Base interactions energy: -130.783
where: short stacking energy: -59.508
Base-Backbone interact. energy: -0.987
local terms energy: -69.244779
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -203.081723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.081723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.081723 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.005
local terms energy: -73.898172
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -97.783051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.783051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.783051 (E_RNA)
where:
Base-Base interactions energy: -46.407
where: short stacking energy: -43.447
Base-Backbone interact. energy: -0.049
local terms energy: -51.327242
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -96.530621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.530621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.530621 (E_RNA)
where:
Base-Base interactions energy: -46.489
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.384
local terms energy: -49.657180
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -106.517193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.517193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.517193 (E_RNA)
where:
Base-Base interactions energy: -46.926
where: short stacking energy: -45.634
Base-Backbone interact. energy: 0.414
local terms energy: -60.005138
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -83.568342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568342 (E_RNA)
where:
Base-Base interactions energy: -36.495
where: short stacking energy: -26.757
Base-Backbone interact. energy: -1.918
local terms energy: -45.155581
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -86.739187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739187 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -28.856
Base-Backbone interact. energy: -0.460
local terms energy: -48.742529
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: 3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -82.325035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.325035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.325035 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.187
local terms energy: -49.035327
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -216.846361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.846361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.846361 (E_RNA)
where:
Base-Base interactions energy: -137.999
where: short stacking energy: -58.838
Base-Backbone interact. energy: -1.104
local terms energy: -77.743321
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -199.235394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.235394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235394 (E_RNA)
where:
Base-Base interactions energy: -118.594
where: short stacking energy: -71.881
Base-Backbone interact. energy: -0.469
local terms energy: -80.171960
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -212.137596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.137596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.137596 (E_RNA)
where:
Base-Base interactions energy: -136.413
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.133
local terms energy: -75.591828
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -185.411011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.411011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.411011 (E_RNA)
where:
Base-Base interactions energy: -117.477
where: short stacking energy: -50.413
Base-Backbone interact. energy: -1.733
local terms energy: -66.200558
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -110.627365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.627365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.627365 (E_RNA)
where:
Base-Base interactions energy: -46.645
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.007
local terms energy: -63.975634
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -107.161984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.161984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.161984 (E_RNA)
where:
Base-Base interactions energy: -47.454
where: short stacking energy: -32.137
Base-Backbone interact. energy: -0.154
local terms energy: -59.553350
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -84.624261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.624261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.624261 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -28.243
Base-Backbone interact. energy: -0.142
local terms energy: -51.360976
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -94.796717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.796717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.796717 (E_RNA)
where:
Base-Base interactions energy: -43.859
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.868
local terms energy: -50.069003
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -82.868443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868443 (E_RNA)
where:
Base-Base interactions energy: -36.211
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.189
local terms energy: -46.468020
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -82.199234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.199234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.199234 (E_RNA)
where:
Base-Base interactions energy: -22.772
where: short stacking energy: -19.059
Base-Backbone interact. energy: -0.004
local terms energy: -59.422648
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -208.667408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.667408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.667408 (E_RNA)
where:
Base-Base interactions energy: -129.097
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.003
local terms energy: -79.567906
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -216.402488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402488 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.316
local terms energy: -74.846013
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -194.076076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076076 (E_RNA)
where:
Base-Base interactions energy: -119.916
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.180
local terms energy: -73.979677
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -177.914038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.914038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.914038 (E_RNA)
where:
Base-Base interactions energy: -111.770
where: short stacking energy: -41.930
Base-Backbone interact. energy: -0.046
local terms energy: -66.097813
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -106.718340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.718340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.718340 (E_RNA)
where:
Base-Base interactions energy: -46.348
where: short stacking energy: -44.843
Base-Backbone interact. energy: -0.168
local terms energy: -60.201918
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -110.314596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.314596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.314596 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -30.249
Base-Backbone interact. energy: -0.525
local terms energy: -63.453292
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -100.221483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.221483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.221483 (E_RNA)
where:
Base-Base interactions energy: -48.966
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.107
local terms energy: -51.148722
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -89.718547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.718547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.718547 (E_RNA)
where:
Base-Base interactions energy: -36.748
where: short stacking energy: -38.584
Base-Backbone interact. energy: -0.162
local terms energy: -52.809056
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -81.471133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.471133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.471133 (E_RNA)
where:
Base-Base interactions energy: -27.563
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.804
local terms energy: -53.103976
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -76.339384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.339384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.339384 (E_RNA)
where:
Base-Base interactions energy: -19.532
where: short stacking energy: -16.895
Base-Backbone interact. energy: 0.410
local terms energy: -57.217379
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -219.474688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.474688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.474688 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -56.246
Base-Backbone interact. energy: -0.154
local terms energy: -80.606186
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -203.854290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.854290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.854290 (E_RNA)
where:
Base-Base interactions energy: -128.354
where: short stacking energy: -65.983
Base-Backbone interact. energy: -0.061
local terms energy: -75.439573
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -203.027219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.027219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.027219 (E_RNA)
where:
Base-Base interactions energy: -127.263
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.001
local terms energy: -75.763190
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -174.937532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.937532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.937532 (E_RNA)
where:
Base-Base interactions energy: -104.136
where: short stacking energy: -54.899
Base-Backbone interact. energy: 0.277
local terms energy: -71.078615
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -134.343041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.343041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.343041 (E_RNA)
where:
Base-Base interactions energy: -72.522
where: short stacking energy: -41.500
Base-Backbone interact. energy: -0.293
local terms energy: -61.528108
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -105.262241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.262241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.262241 (E_RNA)
where:
Base-Base interactions energy: -48.734
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.306
local terms energy: -56.222827
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -128.247863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.247863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.247863 (E_RNA)
where:
Base-Base interactions energy: -78.321
where: short stacking energy: -38.231
Base-Backbone interact. energy: 1.116
local terms energy: -51.043069
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -85.435622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.435622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.435622 (E_RNA)
where:
Base-Base interactions energy: -24.972
where: short stacking energy: -22.938
Base-Backbone interact. energy: -0.279
local terms energy: -60.184635
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -85.654267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654267 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -22.541
Base-Backbone interact. energy: -1.106
local terms energy: -49.681381
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -68.065495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.065495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.065495 (E_RNA)
where:
Base-Base interactions energy: -25.195
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.092
local terms energy: -42.778666
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -223.273066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.273066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.273066 (E_RNA)
where:
Base-Base interactions energy: -140.618
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.287
local terms energy: -82.367710
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -222.163150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.163150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.163150 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.001
local terms energy: -79.583724
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -194.569517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.569517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.569517 (E_RNA)
where:
Base-Base interactions energy: -116.909
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.191
local terms energy: -77.469372
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -187.381171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.381171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.381171 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -51.039
Base-Backbone interact. energy: -0.919
local terms energy: -68.328673
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -110.979370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.979370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.979370 (E_RNA)
where:
Base-Base interactions energy: -52.069
where: short stacking energy: -52.069
Base-Backbone interact. energy: -0.039
local terms energy: -58.871776
where:
bonds (distance) C4'-P energy: -5.849
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -153.688734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.688734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.688734 (E_RNA)
where:
Base-Base interactions energy: -95.146
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.716
local terms energy: -57.827244
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -101.896000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.896000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.896000 (E_RNA)
where:
Base-Base interactions energy: -56.363
where: short stacking energy: -22.654
Base-Backbone interact. energy: -0.323
local terms energy: -45.210274
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: 1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -86.571176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571176 (E_RNA)
where:
Base-Base interactions energy: -43.685
where: short stacking energy: -33.401
Base-Backbone interact. energy: -0.227
local terms energy: -42.658576
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -82.792626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.792626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.792626 (E_RNA)
where:
Base-Base interactions energy: -37.405
where: short stacking energy: -21.833
Base-Backbone interact. energy: -0.040
local terms energy: -45.348328
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: 3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -88.134133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134133 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -31.059
Base-Backbone interact. energy: 0.356
local terms energy: -47.400378
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -231.490259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.490259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.490259 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.002
local terms energy: -83.367041
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -222.672202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.672202 (E_RNA)
where:
Base-Base interactions energy: -141.888
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.003
local terms energy: -80.780526
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -191.327805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.327805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.327805 (E_RNA)
where:
Base-Base interactions energy: -109.743
where: short stacking energy: -61.081
Base-Backbone interact. energy: -2.288
local terms energy: -79.296092
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -173.014759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.014759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.014759 (E_RNA)
where:
Base-Base interactions energy: -100.696
where: short stacking energy: -50.750
Base-Backbone interact. energy: -0.783
local terms energy: -71.536345
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -164.815333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.815333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.815333 (E_RNA)
where:
Base-Base interactions energy: -99.787
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.250
local terms energy: -64.778703
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -98.388187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.388187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.388187 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.033
local terms energy: -64.809500
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -86.682390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.682390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.682390 (E_RNA)
where:
Base-Base interactions energy: -30.894
where: short stacking energy: -24.742
Base-Backbone interact. energy: -1.268
local terms energy: -54.520260
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -103.717485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.717485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.717485 (E_RNA)
where:
Base-Base interactions energy: -53.448
where: short stacking energy: -29.843
Base-Backbone interact. energy: -0.116
local terms energy: -50.152744
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -87.179287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179287 (E_RNA)
where:
Base-Base interactions energy: -40.907
where: short stacking energy: -29.756
Base-Backbone interact. energy: -0.103
local terms energy: -46.169309
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -77.954350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.954350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.954350 (E_RNA)
where:
Base-Base interactions energy: -27.706
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.106
local terms energy: -50.142206
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -222.657789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.657789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.657789 (E_RNA)
where:
Base-Base interactions energy: -143.112
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.245
local terms energy: -79.300692
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -206.734300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.734300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.734300 (E_RNA)
where:
Base-Base interactions energy: -129.757
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.081
local terms energy: -76.896555
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -193.691593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.691593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.691593 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.032
local terms energy: -69.215662
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -174.642729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.642729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.642729 (E_RNA)
where:
Base-Base interactions energy: -103.206
where: short stacking energy: -51.121
Base-Backbone interact. energy: 0.143
local terms energy: -71.578888
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -150.229430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.229430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.229430 (E_RNA)
where:
Base-Base interactions energy: -86.305
where: short stacking energy: -51.536
Base-Backbone interact. energy: -0.350
local terms energy: -63.574518
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -103.509770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.509770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.509770 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -35.335
Base-Backbone interact. energy: -0.234
local terms energy: -59.047861
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -89.775767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775767 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -31.005
Base-Backbone interact. energy: -0.151
local terms energy: -54.911033
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -98.380800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.380800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.380800 (E_RNA)
where:
Base-Base interactions energy: -42.681
where: short stacking energy: -40.437
Base-Backbone interact. energy: -0.110
local terms energy: -55.589663
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -81.301740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.301740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.301740 (E_RNA)
where:
Base-Base interactions energy: -32.610
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.077
local terms energy: -48.615343
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -90.571404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.571404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.571404 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.657
local terms energy: -57.515050
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -221.872799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872799 (E_RNA)
where:
Base-Base interactions energy: -142.120
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.009
local terms energy: -79.743668
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -1.805
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -219.197329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197329 (E_RNA)
where:
Base-Base interactions energy: -139.737
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.450
local terms energy: -79.010301
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -184.809864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.809864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.809864 (E_RNA)
where:
Base-Base interactions energy: -108.748
where: short stacking energy: -55.002
Base-Backbone interact. energy: -0.079
local terms energy: -75.983086
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -176.878784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.878784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.878784 (E_RNA)
where:
Base-Base interactions energy: -115.056
where: short stacking energy: -46.653
Base-Backbone interact. energy: -0.512
local terms energy: -61.310461
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -152.480033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.480033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.480033 (E_RNA)
where:
Base-Base interactions energy: -80.088
where: short stacking energy: -57.434
Base-Backbone interact. energy: -0.106
local terms energy: -72.286585
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -93.873376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.873376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.873376 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.719
local terms energy: -58.247531
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -95.476623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.476623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.476623 (E_RNA)
where:
Base-Base interactions energy: -36.269
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.131
local terms energy: -59.076462
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -85.525288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525288 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.171
local terms energy: -51.176269
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -85.246627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246627 (E_RNA)
where:
Base-Base interactions energy: -31.575
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.296
local terms energy: -53.375862
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -84.636675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636675 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -19.990
Base-Backbone interact. energy: -0.161
local terms energy: -43.266283
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -221.971475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.971475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.971475 (E_RNA)
where:
Base-Base interactions energy: -143.101
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.097
local terms energy: -78.774084
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -175.668871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.668871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.668871 (E_RNA)
where:
Base-Base interactions energy: -105.597
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.157
local terms energy: -69.914762
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -207.332525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.332525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.332525 (E_RNA)
where:
Base-Base interactions energy: -125.819
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.638
local terms energy: -80.875054
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -170.546723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.546723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.546723 (E_RNA)
where:
Base-Base interactions energy: -118.702
where: short stacking energy: -49.301
Base-Backbone interact. energy: 3.342
local terms energy: -55.186692
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -152.102622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.102622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.102622 (E_RNA)
where:
Base-Base interactions energy: -82.958
where: short stacking energy: -48.371
Base-Backbone interact. energy: -0.177
local terms energy: -68.968180
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -111.251963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.251963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.251963 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -41.087
Base-Backbone interact. energy: -0.136
local terms energy: -56.307507
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -94.287005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.287005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.287005 (E_RNA)
where:
Base-Base interactions energy: -42.770
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.317
local terms energy: -51.199829
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -101.084208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.084208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.084208 (E_RNA)
where:
Base-Base interactions energy: -54.249
where: short stacking energy: -35.628
Base-Backbone interact. energy: -0.167
local terms energy: -46.668303
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -99.326673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.326673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.326673 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.026
local terms energy: -59.922466
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -87.207828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.207828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.207828 (E_RNA)
where:
Base-Base interactions energy: -45.449
where: short stacking energy: -24.465
Base-Backbone interact. energy: 0.314
local terms energy: -42.072668
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -7.733
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -226.795249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.795249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.795249 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -71.300
Base-Backbone interact. energy: -0.243
local terms energy: -86.843033
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -176.065246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065246 (E_RNA)
where:
Base-Base interactions energy: -100.472
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.055
local terms energy: -75.538213
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -221.650722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.650722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.650722 (E_RNA)
where:
Base-Base interactions energy: -133.965
where: short stacking energy: -61.916
Base-Backbone interact. energy: -1.093
local terms energy: -86.592127
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -24.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -163.864043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.864043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.864043 (E_RNA)
where:
Base-Base interactions energy: -101.541
where: short stacking energy: -41.783
Base-Backbone interact. energy: -0.368
local terms energy: -61.955241
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -141.276922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.276922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.276922 (E_RNA)
where:
Base-Base interactions energy: -86.601
where: short stacking energy: -41.954
Base-Backbone interact. energy: -0.139
local terms energy: -54.537249
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -103.823825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.823825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.823825 (E_RNA)
where:
Base-Base interactions energy: -48.898
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.156
local terms energy: -54.770235
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -90.035346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.035346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.035346 (E_RNA)
where:
Base-Base interactions energy: -40.615
where: short stacking energy: -34.684
Base-Backbone interact. energy: 0.515
local terms energy: -49.935042
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -99.772216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.772216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.772216 (E_RNA)
where:
Base-Base interactions energy: -48.531
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.275
local terms energy: -50.965714
where:
bonds (distance) C4'-P energy: -5.909
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -93.388316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.388316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.388316 (E_RNA)
where:
Base-Base interactions energy: -41.677
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.143
local terms energy: -51.569212
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -90.914564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914564 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -37.738
Base-Backbone interact. energy: 0.492
local terms energy: -53.479332
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -224.346071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346071 (E_RNA)
where:
Base-Base interactions energy: -142.741
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.100
local terms energy: -81.505130
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -213.951210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.951210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.951210 (E_RNA)
where:
Base-Base interactions energy: -136.118
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.036
local terms energy: -77.797581
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -175.370450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.370450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.370450 (E_RNA)
where:
Base-Base interactions energy: -106.471
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.029
local terms energy: -68.870659
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -177.662606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.662606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.662606 (E_RNA)
where:
Base-Base interactions energy: -107.723
where: short stacking energy: -48.470
Base-Backbone interact. energy: -1.570
local terms energy: -68.369441
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -154.924678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.924678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.924678 (E_RNA)
where:
Base-Base interactions energy: -94.211
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.592
local terms energy: -60.121430
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -107.958198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.958198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.958198 (E_RNA)
where:
Base-Base interactions energy: -53.370
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.071
local terms energy: -54.517674
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -89.812282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.812282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.812282 (E_RNA)
where:
Base-Base interactions energy: -31.463
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.003
local terms energy: -58.346074
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -85.385869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.385869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.385869 (E_RNA)
where:
Base-Base interactions energy: -30.995
where: short stacking energy: -27.628
Base-Backbone interact. energy: 1.354
local terms energy: -55.745611
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -82.655673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.655673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.655673 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -29.597
Base-Backbone interact. energy: 0.086
local terms energy: -52.697104
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -77.890883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.890883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.890883 (E_RNA)
where:
Base-Base interactions energy: -22.410
where: short stacking energy: -20.784
Base-Backbone interact. energy: -1.174
local terms energy: -54.306565
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -214.747530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.747530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.747530 (E_RNA)
where:
Base-Base interactions energy: -133.803
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.173
local terms energy: -80.770904
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -215.713702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.713702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.713702 (E_RNA)
where:
Base-Base interactions energy: -134.471
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.360
local terms energy: -80.883432
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -195.183819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.183819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.183819 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.103
local terms energy: -79.769572
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -178.276430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.276430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.276430 (E_RNA)
where:
Base-Base interactions energy: -108.582
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.865
local terms energy: -68.829100
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -129.329538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.329538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.329538 (E_RNA)
where:
Base-Base interactions energy: -64.376
where: short stacking energy: -40.760
Base-Backbone interact. energy: -0.439
local terms energy: -64.514845
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -105.234523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.234523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.234523 (E_RNA)
where:
Base-Base interactions energy: -42.409
where: short stacking energy: -42.409
Base-Backbone interact. energy: -0.227
local terms energy: -62.598004
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -106.496914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.496914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.496914 (E_RNA)
where:
Base-Base interactions energy: -55.842
where: short stacking energy: -39.389
Base-Backbone interact. energy: 0.254
local terms energy: -50.908685
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -89.593109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.593109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.593109 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -30.723
Base-Backbone interact. energy: -0.613
local terms energy: -52.012611
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -84.835465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835465 (E_RNA)
where:
Base-Base interactions energy: -37.317
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.216
local terms energy: -47.302374
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -71.167506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.167506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.167506 (E_RNA)
where:
Base-Base interactions energy: -22.894
where: short stacking energy: -22.894
Base-Backbone interact. energy: -0.137
local terms energy: -48.136324
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: 2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -218.807833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.807833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.807833 (E_RNA)
where:
Base-Base interactions energy: -139.470
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.241
local terms energy: -79.097214
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -217.268840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.268840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.268840 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -57.736
Base-Backbone interact. energy: -0.417
local terms energy: -83.219317
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -184.293829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.293829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.293829 (E_RNA)
where:
Base-Base interactions energy: -105.890
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.009
local terms energy: -78.395383
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -175.021155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.021155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.021155 (E_RNA)
where:
Base-Base interactions energy: -99.048
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.023
local terms energy: -75.950291
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -135.995800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.995800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.995800 (E_RNA)
where:
Base-Base interactions energy: -76.969
where: short stacking energy: -39.730
Base-Backbone interact. energy: -1.026
local terms energy: -58.000751
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -116.812705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.812705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.812705 (E_RNA)
where:
Base-Base interactions energy: -67.366
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.138
local terms energy: -49.308988
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -98.613061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.613061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.613061 (E_RNA)
where:
Base-Base interactions energy: -42.972
where: short stacking energy: -42.972
Base-Backbone interact. energy: -0.295
local terms energy: -55.345370
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -79.419572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.419572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.419572 (E_RNA)
where:
Base-Base interactions energy: -24.595
where: short stacking energy: -24.595
Base-Backbone interact. energy: -0.114
local terms energy: -54.710839
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -96.120415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120415 (E_RNA)
where:
Base-Base interactions energy: -42.684
where: short stacking energy: -42.684
Base-Backbone interact. energy: -0.133
local terms energy: -53.303474
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -79.828565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.828565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.828565 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -17.919
Base-Backbone interact. energy: -0.206
local terms energy: -45.896409
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -219.924600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924600 (E_RNA)
where:
Base-Base interactions energy: -132.693
where: short stacking energy: -61.383
Base-Backbone interact. energy: -1.272
local terms energy: -85.960034
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -214.677214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677214 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -54.404
Base-Backbone interact. energy: -0.567
local terms energy: -82.761894
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -168.162869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.162869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.162869 (E_RNA)
where:
Base-Base interactions energy: -105.103
where: short stacking energy: -53.177
Base-Backbone interact. energy: 2.588
local terms energy: -65.647177
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -161.381103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.381103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.381103 (E_RNA)
where:
Base-Base interactions energy: -89.694
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.727
local terms energy: -70.960204
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -99.530152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.530152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.530152 (E_RNA)
where:
Base-Base interactions energy: -39.619
where: short stacking energy: -37.649
Base-Backbone interact. energy: -0.265
local terms energy: -59.645950
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -110.370014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.370014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.370014 (E_RNA)
where:
Base-Base interactions energy: -50.432
where: short stacking energy: -43.078
Base-Backbone interact. energy: -0.375
local terms energy: -59.562450
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -93.397578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.397578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.397578 (E_RNA)
where:
Base-Base interactions energy: -39.986
where: short stacking energy: -18.703
Base-Backbone interact. energy: -0.131
local terms energy: -53.280516
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -91.615326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.615326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.615326 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -36.611
Base-Backbone interact. energy: -0.026
local terms energy: -54.978200
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -81.376364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.376364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.376364 (E_RNA)
where:
Base-Base interactions energy: -19.339
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.074
local terms energy: -61.963158
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -79.299552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.299552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.299552 (E_RNA)
where:
Base-Base interactions energy: -23.547
where: short stacking energy: -14.194
Base-Backbone interact. energy: -0.195
local terms energy: -55.557715
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -208.430709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.430709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.430709 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -51.042
Base-Backbone interact. energy: -0.078
local terms energy: -77.802318
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -223.218580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.218580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.218580 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -74.069
Base-Backbone interact. energy: 0.494
local terms energy: -78.781005
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -171.369086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.369086 (E_RNA)
where:
Base-Base interactions energy: -99.356
where: short stacking energy: -57.930
Base-Backbone interact. energy: -1.438
local terms energy: -70.575465
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -150.798466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.798466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.798466 (E_RNA)
where:
Base-Base interactions energy: -81.398
where: short stacking energy: -41.199
Base-Backbone interact. energy: -0.033
local terms energy: -69.368041
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -93.122373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.122373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.122373 (E_RNA)
where:
Base-Base interactions energy: -37.449
where: short stacking energy: -24.303
Base-Backbone interact. energy: -0.223
local terms energy: -55.450181
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -111.804188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.804188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.804188 (E_RNA)
where:
Base-Base interactions energy: -45.052
where: short stacking energy: -45.052
Base-Backbone interact. energy: 0.457
local terms energy: -67.209063
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -89.063247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.063247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.063247 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.484
local terms energy: -52.772289
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -92.875641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.875641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.875641 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -33.968
Base-Backbone interact. energy: -0.005
local terms energy: -52.897528
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -85.348151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.348151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.348151 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.023
local terms energy: -53.695043
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -82.970722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970722 (E_RNA)
where:
Base-Base interactions energy: -41.964
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.192
local terms energy: -40.814740
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -216.042503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.042503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.042503 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -68.355
Base-Backbone interact. energy: -0.456
local terms energy: -78.430830
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -223.105115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.105115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.105115 (E_RNA)
where:
Base-Base interactions energy: -135.602
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.509
local terms energy: -86.994326
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -146.267663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.267663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.267663 (E_RNA)
where:
Base-Base interactions energy: -77.177
where: short stacking energy: -43.368
Base-Backbone interact. energy: -1.160
local terms energy: -67.931085
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -162.013072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.013072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.013072 (E_RNA)
where:
Base-Base interactions energy: -96.122
where: short stacking energy: -45.437
Base-Backbone interact. energy: -0.962
local terms energy: -64.929785
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -103.064783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.064783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.064783 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -38.308
Base-Backbone interact. energy: -0.013
local terms energy: -64.743806
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -100.164354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.164354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.164354 (E_RNA)
where:
Base-Base interactions energy: -41.600
where: short stacking energy: -33.622
Base-Backbone interact. energy: -0.040
local terms energy: -58.524498
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -90.656028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.656028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.656028 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -34.767
Base-Backbone interact. energy: -0.168
local terms energy: -55.720638
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -95.642228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.642228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.642228 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.059
local terms energy: -59.503922
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -92.200327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200327 (E_RNA)
where:
Base-Base interactions energy: -40.341
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.608
local terms energy: -51.251997
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -79.629339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.629339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.629339 (E_RNA)
where:
Base-Base interactions energy: -23.217
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.037
local terms energy: -56.375288
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -221.494245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.494245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.494245 (E_RNA)
where:
Base-Base interactions energy: -141.169
where: short stacking energy: -63.737
Base-Backbone interact. energy: -1.158
local terms energy: -79.166816
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -210.150021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.150021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.150021 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -52.576
Base-Backbone interact. energy: -0.382
local terms energy: -73.085068
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -159.933055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.933055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.933055 (E_RNA)
where:
Base-Base interactions energy: -94.781
where: short stacking energy: -43.096
Base-Backbone interact. energy: -0.179
local terms energy: -64.972957
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -174.971936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.971936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.971936 (E_RNA)
where:
Base-Base interactions energy: -104.367
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.161
local terms energy: -70.443490
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -106.896700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.896700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.896700 (E_RNA)
where:
Base-Base interactions energy: -41.132
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.031
local terms energy: -65.734286
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -90.454034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454034 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -30.194
Base-Backbone interact. energy: -0.256
local terms energy: -52.944947
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -85.919789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.919789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.919789 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -31.905
Base-Backbone interact. energy: 0.344
local terms energy: -50.034991
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -95.971054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.971054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.971054 (E_RNA)
where:
Base-Base interactions energy: -44.270
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.034
local terms energy: -51.666388
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -78.136948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136948 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -20.829
Base-Backbone interact. energy: -1.043
local terms energy: -46.435689
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -85.089009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.089009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.089009 (E_RNA)
where:
Base-Base interactions energy: -31.544
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.810
local terms energy: -52.735520
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -217.827919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.827919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.827919 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.030
local terms energy: -75.103793
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -198.854137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.854137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.854137 (E_RNA)
where:
Base-Base interactions energy: -126.782
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.349
local terms energy: -71.722612
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -171.199161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.199161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.199161 (E_RNA)
where:
Base-Base interactions energy: -99.412
where: short stacking energy: -51.252
Base-Backbone interact. energy: -0.080
local terms energy: -71.707465
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -153.656449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.656449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.656449 (E_RNA)
where:
Base-Base interactions energy: -88.932
where: short stacking energy: -46.578
Base-Backbone interact. energy: -0.140
local terms energy: -64.585162
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -138.215020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.215020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.215020 (E_RNA)
where:
Base-Base interactions energy: -84.063
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.296
local terms energy: -53.856404
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -138.186040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.186040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.186040 (E_RNA)
where:
Base-Base interactions energy: -75.412
where: short stacking energy: -50.579
Base-Backbone interact. energy: 0.284
local terms energy: -63.057322
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -8.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -92.620066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620066 (E_RNA)
where:
Base-Base interactions energy: -39.651
where: short stacking energy: -37.970
Base-Backbone interact. energy: -0.005
local terms energy: -52.963670
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -96.571756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.571756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.571756 (E_RNA)
where:
Base-Base interactions energy: -45.873
where: short stacking energy: -30.821
Base-Backbone interact. energy: -0.215
local terms energy: -50.484165
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -87.047880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.047880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.047880 (E_RNA)
where:
Base-Base interactions energy: -40.837
where: short stacking energy: -37.463
Base-Backbone interact. energy: 0.438
local terms energy: -46.649372
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -79.788109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.788109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.788109 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.101
local terms energy: -46.426942
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -7.765
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -215.861438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.861438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.861438 (E_RNA)
where:
Base-Base interactions energy: -141.152
where: short stacking energy: -50.801
Base-Backbone interact. energy: -0.194
local terms energy: -74.516099
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -211.803214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.803214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.803214 (E_RNA)
where:
Base-Base interactions energy: -130.638
where: short stacking energy: -55.585
Base-Backbone interact. energy: 0.741
local terms energy: -81.906965
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -174.631072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.631072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.631072 (E_RNA)
where:
Base-Base interactions energy: -100.583
where: short stacking energy: -50.823
Base-Backbone interact. energy: -1.679
local terms energy: -72.368565
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -152.921241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.921241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.921241 (E_RNA)
where:
Base-Base interactions energy: -80.561
where: short stacking energy: -45.532
Base-Backbone interact. energy: -1.207
local terms energy: -71.153298
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -128.180237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.180237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.180237 (E_RNA)
where:
Base-Base interactions energy: -73.460
where: short stacking energy: -28.888
Base-Backbone interact. energy: -1.119
local terms energy: -53.601409
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -108.449539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.449539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.449539 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -38.059
Base-Backbone interact. energy: -1.157
local terms energy: -58.682010
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -102.074661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.074661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.074661 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -31.369
Base-Backbone interact. energy: -0.657
local terms energy: -58.749435
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -90.970629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.970629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.970629 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -31.278
Base-Backbone interact. energy: 0.131
local terms energy: -57.462900
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -86.252001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.252001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.252001 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -35.030
Base-Backbone interact. energy: -0.116
local terms energy: -47.258084
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -86.344302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.344302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.344302 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -33.306
Base-Backbone interact. energy: -0.135
local terms energy: -49.858288
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -219.000464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.000464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.000464 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.043
local terms energy: -83.387847
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -214.555419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.555419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.555419 (E_RNA)
where:
Base-Base interactions energy: -130.621
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.404
local terms energy: -83.530050
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -159.018229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.018229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.018229 (E_RNA)
where:
Base-Base interactions energy: -86.946
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.284
local terms energy: -71.787619
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -171.579808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.579808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.579808 (E_RNA)
where:
Base-Base interactions energy: -88.352
where: short stacking energy: -55.351
Base-Backbone interact. energy: -0.369
local terms energy: -82.858219
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -100.354294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.354294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.354294 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -39.124
Base-Backbone interact. energy: 0.774
local terms energy: -58.840914
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -123.707043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.707043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.707043 (E_RNA)
where:
Base-Base interactions energy: -67.332
where: short stacking energy: -50.670
Base-Backbone interact. energy: -0.280
local terms energy: -56.095585
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -86.679029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.679029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.679029 (E_RNA)
where:
Base-Base interactions energy: -34.671
where: short stacking energy: -22.970
Base-Backbone interact. energy: -0.084
local terms energy: -51.924630
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -93.883792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.883792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.883792 (E_RNA)
where:
Base-Base interactions energy: -33.875
where: short stacking energy: -29.878
Base-Backbone interact. energy: -0.301
local terms energy: -59.707280
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -85.356684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356684 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.379
local terms energy: -50.797234
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -83.032749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.032749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.032749 (E_RNA)
where:
Base-Base interactions energy: -26.948
where: short stacking energy: -17.189
Base-Backbone interact. energy: -1.044
local terms energy: -55.041095
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -226.795950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.795950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.795950 (E_RNA)
where:
Base-Base interactions energy: -143.580
where: short stacking energy: -69.387
Base-Backbone interact. energy: -0.032
local terms energy: -83.183880
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -223.370786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.370786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.370786 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.003
local terms energy: -83.255047
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -154.080182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.080182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.080182 (E_RNA)
where:
Base-Base interactions energy: -86.082
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.194
local terms energy: -67.803697
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -169.130597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.130597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.130597 (E_RNA)
where:
Base-Base interactions energy: -98.984
where: short stacking energy: -56.542
Base-Backbone interact. energy: -0.111
local terms energy: -70.035439
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -106.963514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.963514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.963514 (E_RNA)
where:
Base-Base interactions energy: -43.637
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.328
local terms energy: -62.998772
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -100.643473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.643473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.643473 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.115
local terms energy: -56.009935
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -94.508915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.508915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.508915 (E_RNA)
where:
Base-Base interactions energy: -39.907
where: short stacking energy: -27.133
Base-Backbone interact. energy: 0.192
local terms energy: -54.793504
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -92.470750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470750 (E_RNA)
where:
Base-Base interactions energy: -40.979
where: short stacking energy: -31.045
Base-Backbone interact. energy: -0.494
local terms energy: -50.997695
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -82.281860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.281860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.281860 (E_RNA)
where:
Base-Base interactions energy: -26.986
where: short stacking energy: -26.252
Base-Backbone interact. energy: -0.413
local terms energy: -54.882622
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -79.025948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.025948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.025948 (E_RNA)
where:
Base-Base interactions energy: -35.055
where: short stacking energy: -19.328
Base-Backbone interact. energy: 0.891
local terms energy: -44.861360
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -218.705465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.705465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.705465 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.674
local terms energy: -83.640605
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -211.865729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.865729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.865729 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.092
local terms energy: -72.553228
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -186.326465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.326465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.326465 (E_RNA)
where:
Base-Base interactions energy: -103.791
where: short stacking energy: -63.414
Base-Backbone interact. energy: -1.173
local terms energy: -81.362646
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -143.312597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.312597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.312597 (E_RNA)
where:
Base-Base interactions energy: -78.598
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.632
local terms energy: -64.082795
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -117.732995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.732995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.732995 (E_RNA)
where:
Base-Base interactions energy: -60.359
where: short stacking energy: -47.772
Base-Backbone interact. energy: -0.079
local terms energy: -57.295427
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -101.267916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.267916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.267916 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -32.600
Base-Backbone interact. energy: 1.453
local terms energy: -67.682001
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -134.043477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.043477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.043477 (E_RNA)
where:
Base-Base interactions energy: -77.422
where: short stacking energy: -47.016
Base-Backbone interact. energy: -0.371
local terms energy: -56.250672
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -73.976567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.976567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.976567 (E_RNA)
where:
Base-Base interactions energy: -26.452
where: short stacking energy: -20.570
Base-Backbone interact. energy: -0.072
local terms energy: -47.452939
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: 4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -95.457067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.457067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.457067 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.306
local terms energy: -57.289564
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -78.032964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.032964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.032964 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -21.167
Base-Backbone interact. energy: -0.908
local terms energy: -47.962436
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -215.773469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.773469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.773469 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -60.811
Base-Backbone interact. energy: -0.576
local terms energy: -81.205977
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -214.960488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.960488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.960488 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.414
local terms energy: -77.373130
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -168.677800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.677800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.677800 (E_RNA)
where:
Base-Base interactions energy: -93.726
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.089
local terms energy: -74.863108
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -161.453117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.453117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.453117 (E_RNA)
where:
Base-Base interactions energy: -90.198
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.127
local terms energy: -71.128587
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -107.591138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.591138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.591138 (E_RNA)
where:
Base-Base interactions energy: -46.902
where: short stacking energy: -44.572
Base-Backbone interact. energy: 0.111
local terms energy: -60.799946
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -110.010752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.010752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.010752 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -39.320
Base-Backbone interact. energy: -0.078
local terms energy: -66.650743
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -92.139694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.139694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.139694 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.087
local terms energy: -51.769376
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -8.757
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -84.481522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.481522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.481522 (E_RNA)
where:
Base-Base interactions energy: -32.706
where: short stacking energy: -30.522
Base-Backbone interact. energy: -0.125
local terms energy: -51.650779
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -83.204789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.204789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.204789 (E_RNA)
where:
Base-Base interactions energy: -23.817
where: short stacking energy: -23.817
Base-Backbone interact. energy: -1.292
local terms energy: -58.095526
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.740957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.740957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.740957 (E_RNA)
where:
Base-Base interactions energy: -35.874
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.198
local terms energy: -42.669511
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: 3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -217.660869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.660869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.660869 (E_RNA)
where:
Base-Base interactions energy: -137.276
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.620
local terms energy: -79.764856
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -216.823820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.823820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.823820 (E_RNA)
where:
Base-Base interactions energy: -142.419
where: short stacking energy: -72.510
Base-Backbone interact. energy: 0.182
local terms energy: -74.587155
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -160.985038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.985038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.985038 (E_RNA)
where:
Base-Base interactions energy: -92.601
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.227
local terms energy: -68.156210
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -170.415446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.415446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.415446 (E_RNA)
where:
Base-Base interactions energy: -98.357
where: short stacking energy: -63.136
Base-Backbone interact. energy: -1.034
local terms energy: -71.024638
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -113.297310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.297310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.297310 (E_RNA)
where:
Base-Base interactions energy: -61.731
where: short stacking energy: -35.832
Base-Backbone interact. energy: -0.875
local terms energy: -50.691189
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -121.752373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.752373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.752373 (E_RNA)
where:
Base-Base interactions energy: -67.931
where: short stacking energy: -35.969
Base-Backbone interact. energy: -0.300
local terms energy: -53.521433
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -86.686873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.686873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.686873 (E_RNA)
where:
Base-Base interactions energy: -40.546
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.347
local terms energy: -45.793553
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -87.472407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472407 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.199
local terms energy: -49.222152
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -90.009487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.009487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.009487 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -37.120
Base-Backbone interact. energy: -0.062
local terms energy: -52.827490
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: 0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -95.084325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.084325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.084325 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.209
local terms energy: -49.666211
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -221.217007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.217007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.217007 (E_RNA)
where:
Base-Base interactions energy: -138.631
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.117
local terms energy: -82.469025
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -207.663286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.663286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.663286 (E_RNA)
where:
Base-Base interactions energy: -124.406
where: short stacking energy: -66.505
Base-Backbone interact. energy: 0.122
local terms energy: -83.378476
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -147.536029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.536029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.536029 (E_RNA)
where:
Base-Base interactions energy: -77.197
where: short stacking energy: -41.908
Base-Backbone interact. energy: -1.161
local terms energy: -69.177724
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -165.469998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.469998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.469998 (E_RNA)
where:
Base-Base interactions energy: -94.179
where: short stacking energy: -51.639
Base-Backbone interact. energy: -1.318
local terms energy: -69.973499
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -106.396600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.396600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.396600 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -41.966
Base-Backbone interact. energy: -0.105
local terms energy: -58.553985
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -139.038664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.038664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.038664 (E_RNA)
where:
Base-Base interactions energy: -76.546
where: short stacking energy: -35.334
Base-Backbone interact. energy: -0.916
local terms energy: -61.576399
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -98.395545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.395545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.395545 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -38.853
Base-Backbone interact. energy: -0.092
local terms energy: -59.434710
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -87.088416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.088416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.088416 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -20.160
Base-Backbone interact. energy: -0.295
local terms energy: -54.899755
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -79.076779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.076779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.076779 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -23.383
Base-Backbone interact. energy: -0.201
local terms energy: -49.788807
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -77.432582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432582 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -26.939
Base-Backbone interact. energy: -0.168
local terms energy: -47.323257
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -216.658875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.658875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.658875 (E_RNA)
where:
Base-Base interactions energy: -141.506
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.242
local terms energy: -74.910641
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -220.473420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.473420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.473420 (E_RNA)
where:
Base-Base interactions energy: -138.700
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.001
local terms energy: -81.773136
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -168.725185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725185 (E_RNA)
where:
Base-Base interactions energy: -95.108
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.015
local terms energy: -73.602374
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -169.164155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.164155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.164155 (E_RNA)
where:
Base-Base interactions energy: -97.350
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.180
local terms energy: -71.634970
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -149.166970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.166970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.166970 (E_RNA)
where:
Base-Base interactions energy: -86.477
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.245
local terms energy: -62.445039
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -101.786957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.786957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.786957 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -45.067
Base-Backbone interact. energy: 1.692
local terms energy: -55.052832
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -107.566854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.566854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.566854 (E_RNA)
where:
Base-Base interactions energy: -60.689
where: short stacking energy: -27.706
Base-Backbone interact. energy: 0.916
local terms energy: -47.793685
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -83.832869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.832869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.832869 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -20.893
Base-Backbone interact. energy: 0.251
local terms energy: -48.027261
where:
bonds (distance) C4'-P energy: -6.458
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: 1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -77.903335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.903335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.903335 (E_RNA)
where:
Base-Base interactions energy: -18.704
where: short stacking energy: -15.630
Base-Backbone interact. energy: -0.167
local terms energy: -59.032717
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: 2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -84.997737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.997737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.997737 (E_RNA)
where:
Base-Base interactions energy: -32.499
where: short stacking energy: -20.788
Base-Backbone interact. energy: 0.220
local terms energy: -52.718531
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -223.483813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483813 (E_RNA)
where:
Base-Base interactions energy: -140.445
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.214
local terms energy: -82.824783
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -222.500744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.500744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.500744 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.016
local terms energy: -82.288785
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -193.220519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.220519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.220519 (E_RNA)
where:
Base-Base interactions energy: -126.290
where: short stacking energy: -61.276
Base-Backbone interact. energy: -1.622
local terms energy: -65.309028
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -162.803807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.803807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.803807 (E_RNA)
where:
Base-Base interactions energy: -92.198
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.043
local terms energy: -70.563063
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -109.422876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.422876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.422876 (E_RNA)
where:
Base-Base interactions energy: -49.024
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.208
local terms energy: -60.190900
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -115.008598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.008598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.008598 (E_RNA)
where:
Base-Base interactions energy: -44.903
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.049
local terms energy: -70.056610
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -95.599369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599369 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -21.451
Base-Backbone interact. energy: -1.032
local terms energy: -52.259507
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -95.785636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.785636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.785636 (E_RNA)
where:
Base-Base interactions energy: -41.740
where: short stacking energy: -39.989
Base-Backbone interact. energy: -0.069
local terms energy: -53.976815
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -76.881804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.881804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.881804 (E_RNA)
where:
Base-Base interactions energy: -27.078
where: short stacking energy: -25.072
Base-Backbone interact. energy: -0.415
local terms energy: -49.388328
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -96.285657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.285657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.285657 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -23.755
Base-Backbone interact. energy: 0.970
local terms energy: -56.659580
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -220.354038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.354038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.354038 (E_RNA)
where:
Base-Base interactions energy: -138.834
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.004
local terms energy: -81.516075
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -225.911020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.911020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.911020 (E_RNA)
where:
Base-Base interactions energy: -144.914
where: short stacking energy: -67.519
Base-Backbone interact. energy: -0.110
local terms energy: -80.886946
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -178.017264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.017264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.017264 (E_RNA)
where:
Base-Base interactions energy: -107.786
where: short stacking energy: -61.288
Base-Backbone interact. energy: -1.155
local terms energy: -69.076287
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -174.697666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.697666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.697666 (E_RNA)
where:
Base-Base interactions energy: -104.625
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.075
local terms energy: -69.997299
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -123.187307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.187307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.187307 (E_RNA)
where:
Base-Base interactions energy: -60.912
where: short stacking energy: -49.328
Base-Backbone interact. energy: -0.205
local terms energy: -62.070752
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -87.669895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.669895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.669895 (E_RNA)
where:
Base-Base interactions energy: -26.659
where: short stacking energy: -25.735
Base-Backbone interact. energy: -1.897
local terms energy: -59.114120
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -89.430893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.430893 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -37.844
Base-Backbone interact. energy: -0.155
local terms energy: -50.518638
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -89.260614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.260614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.260614 (E_RNA)
where:
Base-Base interactions energy: -39.297
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.100
local terms energy: -49.864093
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -83.039001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039001 (E_RNA)
where:
Base-Base interactions energy: -32.418
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.277
local terms energy: -50.344280
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -85.222459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222459 (E_RNA)
where:
Base-Base interactions energy: -32.169
where: short stacking energy: -29.346
Base-Backbone interact. energy: 0.939
local terms energy: -53.992531
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -201.859938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.859938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859938 (E_RNA)
where:
Base-Base interactions energy: -121.635
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.617
local terms energy: -79.608020
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -213.255557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.255557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.255557 (E_RNA)
where:
Base-Base interactions energy: -136.921
where: short stacking energy: -66.932
Base-Backbone interact. energy: 0.962
local terms energy: -77.296758
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -165.326310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.326310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.326310 (E_RNA)
where:
Base-Base interactions energy: -97.142
where: short stacking energy: -33.445
Base-Backbone interact. energy: -0.410
local terms energy: -67.774502
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -111.379519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.379519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.379519 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -41.439
Base-Backbone interact. energy: -0.175
local terms energy: -61.936223
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -147.025051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.025051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.025051 (E_RNA)
where:
Base-Base interactions energy: -86.092
where: short stacking energy: -46.160
Base-Backbone interact. energy: 0.652
local terms energy: -61.585048
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -103.629535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.629535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.629535 (E_RNA)
where:
Base-Base interactions energy: -42.656
where: short stacking energy: -38.791
Base-Backbone interact. energy: -0.647
local terms energy: -60.327044
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -104.743276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.743276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.743276 (E_RNA)
where:
Base-Base interactions energy: -47.815
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.141
local terms energy: -56.787210
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -92.614291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.614291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.614291 (E_RNA)
where:
Base-Base interactions energy: -42.823
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.367
local terms energy: -49.424425
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -87.062274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.062274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.062274 (E_RNA)
where:
Base-Base interactions energy: -28.049
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.966
local terms energy: -58.046336
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -82.532679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.532679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.532679 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.292
local terms energy: -47.902806
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -215.956981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.956981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.956981 (E_RNA)
where:
Base-Base interactions energy: -134.282
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.059
local terms energy: -81.615621
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -219.450405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.450405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.450405 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -64.965
Base-Backbone interact. energy: -0.021
local terms energy: -81.808626
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -172.465725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.465725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.465725 (E_RNA)
where:
Base-Base interactions energy: -100.811
where: short stacking energy: -58.560
Base-Backbone interact. energy: 0.154
local terms energy: -71.808138
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -111.614458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.614458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.614458 (E_RNA)
where:
Base-Base interactions energy: -48.738
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.201
local terms energy: -62.676379
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -97.964020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.964020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.964020 (E_RNA)
where:
Base-Base interactions energy: -46.150
where: short stacking energy: -28.466
Base-Backbone interact. energy: 0.548
local terms energy: -52.361808
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -100.470111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.470111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.470111 (E_RNA)
where:
Base-Base interactions energy: -46.342
where: short stacking energy: -42.923
Base-Backbone interact. energy: -0.049
local terms energy: -54.078543
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -90.743356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.743356 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -32.535
Base-Backbone interact. energy: -0.099
local terms energy: -51.219234
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -82.405628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.405628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.405628 (E_RNA)
where:
Base-Base interactions energy: -38.554
where: short stacking energy: -37.711
Base-Backbone interact. energy: 0.201
local terms energy: -44.052874
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -3.044
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -79.719884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.719884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.719884 (E_RNA)
where:
Base-Base interactions energy: -26.989
where: short stacking energy: -26.892
Base-Backbone interact. energy: -0.021
local terms energy: -52.709484
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -76.330311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.330311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.330311 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.395
local terms energy: -48.396271
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -210.219537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.219537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.219537 (E_RNA)
where:
Base-Base interactions energy: -133.265
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.037
local terms energy: -76.917379
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -220.223756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.223756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.223756 (E_RNA)
where:
Base-Base interactions energy: -146.259
where: short stacking energy: -69.924
Base-Backbone interact. energy: -0.054
local terms energy: -73.911032
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -176.812018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.812018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.812018 (E_RNA)
where:
Base-Base interactions energy: -101.560
where: short stacking energy: -62.312
Base-Backbone interact. energy: 0.171
local terms energy: -75.422833
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -121.323908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.323908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.323908 (E_RNA)
where:
Base-Base interactions energy: -56.752
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.164
local terms energy: -64.408183
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -106.327956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.327956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.327956 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -40.102
Base-Backbone interact. energy: -1.542
local terms energy: -63.442445
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -112.112066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.112066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.112066 (E_RNA)
where:
Base-Base interactions energy: -55.951
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.335
local terms energy: -55.826676
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -92.140989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.140989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.140989 (E_RNA)
where:
Base-Base interactions energy: -34.185
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.247
local terms energy: -57.709135
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -87.395996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.395996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.395996 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.704
local terms energy: -52.759253
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -74.995211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.995211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.995211 (E_RNA)
where:
Base-Base interactions energy: -26.527
where: short stacking energy: -24.870
Base-Backbone interact. energy: -0.269
local terms energy: -48.199850
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -77.734925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.734925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.734925 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.171
local terms energy: -44.719180
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: 1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -214.014099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.014099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.014099 (E_RNA)
where:
Base-Base interactions energy: -140.702
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.442
local terms energy: -72.869570
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -209.973338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.973338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.973338 (E_RNA)
where:
Base-Base interactions energy: -129.753
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.334
local terms energy: -79.886020
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -175.890853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.890853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.890853 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -51.447
Base-Backbone interact. energy: -0.003
local terms energy: -72.856468
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -115.533584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.533584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.533584 (E_RNA)
where:
Base-Base interactions energy: -61.326
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.178
local terms energy: -54.029746
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -121.027079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.027079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.027079 (E_RNA)
where:
Base-Base interactions energy: -58.404
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.177
local terms energy: -62.445685
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -97.468025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.468025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.468025 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -30.220
Base-Backbone interact. energy: -0.300
local terms energy: -57.526638
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -94.241951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.241951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.241951 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -25.438
Base-Backbone interact. energy: -0.528
local terms energy: -52.874616
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -86.687071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.687071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.687071 (E_RNA)
where:
Base-Base interactions energy: -39.354
where: short stacking energy: -31.833
Base-Backbone interact. energy: 0.147
local terms energy: -47.479856
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -0.853
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -80.168923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.168923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.168923 (E_RNA)
where:
Base-Base interactions energy: -32.477
where: short stacking energy: -16.959
Base-Backbone interact. energy: 0.099
local terms energy: -47.791061
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -72.870902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.870902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.870902 (E_RNA)
where:
Base-Base interactions energy: -27.150
where: short stacking energy: -26.740
Base-Backbone interact. energy: -0.280
local terms energy: -45.440665
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -230.426258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.426258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.426258 (E_RNA)
where:
Base-Base interactions energy: -149.861
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.000
local terms energy: -80.565323
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -209.310658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.310658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.310658 (E_RNA)
where:
Base-Base interactions energy: -133.619
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.006
local terms energy: -75.685471
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -169.947779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.947779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.947779 (E_RNA)
where:
Base-Base interactions energy: -100.276
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.366
local terms energy: -69.304985
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -99.253083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.253083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.253083 (E_RNA)
where:
Base-Base interactions energy: -39.055
where: short stacking energy: -39.055
Base-Backbone interact. energy: -0.032
local terms energy: -60.166482
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -105.452983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.452983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.452983 (E_RNA)
where:
Base-Base interactions energy: -53.007
where: short stacking energy: -42.977
Base-Backbone interact. energy: -0.147
local terms energy: -52.299316
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -107.258499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.258499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.258499 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -40.745
Base-Backbone interact. energy: -0.403
local terms energy: -66.110605
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -98.066434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.066434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.066434 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -27.869
Base-Backbone interact. energy: -0.979
local terms energy: -60.691506
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -11.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -98.811426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.811426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.811426 (E_RNA)
where:
Base-Base interactions energy: -45.299
where: short stacking energy: -38.174
Base-Backbone interact. energy: -0.009
local terms energy: -53.503558
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -84.252688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.252688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.252688 (E_RNA)
where:
Base-Base interactions energy: -29.940
where: short stacking energy: -27.452
Base-Backbone interact. energy: -1.666
local terms energy: -52.646793
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -81.382254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.382254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.382254 (E_RNA)
where:
Base-Base interactions energy: -40.271
where: short stacking energy: -26.603
Base-Backbone interact. energy: 0.580
local terms energy: -41.691132
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -226.315608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.315608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.315608 (E_RNA)
where:
Base-Base interactions energy: -146.977
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.798
local terms energy: -78.541245
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -21.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -205.896265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.896265 (E_RNA)
where:
Base-Base interactions energy: -131.669
where: short stacking energy: -61.832
Base-Backbone interact. energy: -0.101
local terms energy: -74.126117
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -172.276104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.276104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.276104 (E_RNA)
where:
Base-Base interactions energy: -93.158
where: short stacking energy: -47.828
Base-Backbone interact. energy: -1.683
local terms energy: -77.434192
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -112.060075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.060075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.060075 (E_RNA)
where:
Base-Base interactions energy: -56.471
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.191
local terms energy: -55.398316
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -104.374048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.374048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.374048 (E_RNA)
where:
Base-Base interactions energy: -48.312
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.158
local terms energy: -55.903976
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -93.308600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.308600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.308600 (E_RNA)
where:
Base-Base interactions energy: -46.410
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.204
local terms energy: -46.694534
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -97.011216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.011216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.011216 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -32.997
Base-Backbone interact. energy: 1.079
local terms energy: -58.147549
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -86.307034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.307034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.307034 (E_RNA)
where:
Base-Base interactions energy: -30.169
where: short stacking energy: -30.169
Base-Backbone interact. energy: 0.507
local terms energy: -56.645207
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -90.547887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.547887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.547887 (E_RNA)
where:
Base-Base interactions energy: -50.271
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.665
local terms energy: -39.612474
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -83.615509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.615509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.615509 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -31.402
Base-Backbone interact. energy: -1.137
local terms energy: -44.600470
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -223.070869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.070869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.070869 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -62.923
Base-Backbone interact. energy: 0.127
local terms energy: -82.474811
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -217.416014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.416014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.416014 (E_RNA)
where:
Base-Base interactions energy: -136.365
where: short stacking energy: -64.977
Base-Backbone interact. energy: 0.899
local terms energy: -81.950532
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -172.454172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454172 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.033
local terms energy: -69.035778
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -114.419796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.419796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.419796 (E_RNA)
where:
Base-Base interactions energy: -48.028
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.220
local terms energy: -66.171266
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -121.451188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.451188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.451188 (E_RNA)
where:
Base-Base interactions energy: -49.679
where: short stacking energy: -49.679
Base-Backbone interact. energy: -0.340
local terms energy: -71.431388
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -105.885265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.885265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.885265 (E_RNA)
where:
Base-Base interactions energy: -50.044
where: short stacking energy: -39.323
Base-Backbone interact. energy: 0.160
local terms energy: -56.001072
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -97.519811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.519811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.519811 (E_RNA)
where:
Base-Base interactions energy: -44.226
where: short stacking energy: -39.578
Base-Backbone interact. energy: -0.171
local terms energy: -53.122260
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -1.041
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -94.992341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.992341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.992341 (E_RNA)
where:
Base-Base interactions energy: -46.034
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.046
local terms energy: -48.912727
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -89.611465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.611465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.611465 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -36.787
Base-Backbone interact. energy: -0.197
local terms energy: -52.596457
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -0.219
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -95.033884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.033884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.033884 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.099
local terms energy: -53.363284
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -222.615151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.615151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.615151 (E_RNA)
where:
Base-Base interactions energy: -143.664
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.002
local terms energy: -78.949299
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -219.550367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.550367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.550367 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -67.885
Base-Backbone interact. energy: 0.059
local terms energy: -80.793904
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -160.333912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.333912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.333912 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -46.358
Base-Backbone interact. energy: -0.273
local terms energy: -70.253777
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -141.332658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.332658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.332658 (E_RNA)
where:
Base-Base interactions energy: -70.470
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.518
local terms energy: -70.344146
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -113.408069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.408069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.408069 (E_RNA)
where:
Base-Base interactions energy: -56.625
where: short stacking energy: -33.391
Base-Backbone interact. energy: -1.307
local terms energy: -55.475317
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -94.211646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.211646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.211646 (E_RNA)
where:
Base-Base interactions energy: -47.615
where: short stacking energy: -40.001
Base-Backbone interact. energy: 1.055
local terms energy: -47.652209
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -1.948
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -104.291910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.291910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.291910 (E_RNA)
where:
Base-Base interactions energy: -46.807
where: short stacking energy: -42.312
Base-Backbone interact. energy: 0.051
local terms energy: -57.535132
where:
bonds (distance) C4'-P energy: -4.756
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -90.411781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.411781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.411781 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.277
local terms energy: -59.827773
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -102.840633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.840633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.840633 (E_RNA)
where:
Base-Base interactions energy: -44.067
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.701
local terms energy: -58.071939
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -78.587289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587289 (E_RNA)
where:
Base-Base interactions energy: -27.712
where: short stacking energy: -26.505
Base-Backbone interact. energy: -0.084
local terms energy: -50.790682
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -223.963460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.963460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.963460 (E_RNA)
where:
Base-Base interactions energy: -144.280
where: short stacking energy: -71.896
Base-Backbone interact. energy: -0.241
local terms energy: -79.442983
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -221.315981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.315981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.315981 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.260
local terms energy: -74.237613
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -163.883822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.883822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.883822 (E_RNA)
where:
Base-Base interactions energy: -96.580
where: short stacking energy: -52.342
Base-Backbone interact. energy: 0.197
local terms energy: -67.501496
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -130.766860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.766860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.766860 (E_RNA)
where:
Base-Base interactions energy: -64.213
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.573
local terms energy: -65.980832
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -113.410522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.410522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.410522 (E_RNA)
where:
Base-Base interactions energy: -55.336
where: short stacking energy: -48.351
Base-Backbone interact. energy: 0.790
local terms energy: -58.864410
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -8.273
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -99.191235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.191235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.191235 (E_RNA)
where:
Base-Base interactions energy: -53.445
where: short stacking energy: -35.481
Base-Backbone interact. energy: -0.190
local terms energy: -45.556267
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -94.490150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.490150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.490150 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -33.935
Base-Backbone interact. energy: -0.173
local terms energy: -59.520462
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -107.766883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.766883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.766883 (E_RNA)
where:
Base-Base interactions energy: -54.646
where: short stacking energy: -24.457
Base-Backbone interact. energy: -1.125
local terms energy: -51.995938
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -85.108467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.108467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.108467 (E_RNA)
where:
Base-Base interactions energy: -42.055
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.668
local terms energy: -42.385400
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -79.495652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.495652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.495652 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -31.029
Base-Backbone interact. energy: 0.859
local terms energy: -47.715851
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -216.064248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.064248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.064248 (E_RNA)
where:
Base-Base interactions energy: -147.376
where: short stacking energy: -63.928
Base-Backbone interact. energy: 0.858
local terms energy: -69.545998
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -206.973492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.973492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.973492 (E_RNA)
where:
Base-Base interactions energy: -137.778
where: short stacking energy: -55.642
Base-Backbone interact. energy: -0.728
local terms energy: -68.467042
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -178.885245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.885245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.885245 (E_RNA)
where:
Base-Base interactions energy: -109.493
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.291
local terms energy: -69.101551
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -122.730603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.730603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.730603 (E_RNA)
where:
Base-Base interactions energy: -67.878
where: short stacking energy: -45.446
Base-Backbone interact. energy: 0.414
local terms energy: -55.266460
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -140.917752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.917752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.917752 (E_RNA)
where:
Base-Base interactions energy: -85.111
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.237
local terms energy: -55.569427
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -94.872939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.872939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.872939 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -39.009
Base-Backbone interact. energy: -0.015
local terms energy: -55.848616
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -110.165732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.165732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.165732 (E_RNA)
where:
Base-Base interactions energy: -52.284
where: short stacking energy: -43.241
Base-Backbone interact. energy: -0.183
local terms energy: -57.698624
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -84.884252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.884252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.884252 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.135
local terms energy: -55.593931
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -88.432827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432827 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.137
local terms energy: -52.806739
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -92.964587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964587 (E_RNA)
where:
Base-Base interactions energy: -52.020
where: short stacking energy: -23.805
Base-Backbone interact. energy: -0.540
local terms energy: -40.404241
where:
bonds (distance) C4'-P energy: -3.156
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -225.746837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.746837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.746837 (E_RNA)
where:
Base-Base interactions energy: -145.720
where: short stacking energy: -66.019
Base-Backbone interact. energy: -1.366
local terms energy: -78.661537
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -219.347498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.347498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.347498 (E_RNA)
where:
Base-Base interactions energy: -139.389
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.001
local terms energy: -79.957993
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -187.307664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.307664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.307664 (E_RNA)
where:
Base-Base interactions energy: -114.843
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.209
local terms energy: -72.256271
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -113.044422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.044422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.044422 (E_RNA)
where:
Base-Base interactions energy: -47.291
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.066
local terms energy: -65.686782
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -104.093392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.093392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.093392 (E_RNA)
where:
Base-Base interactions energy: -48.066
where: short stacking energy: -34.710
Base-Backbone interact. energy: -0.759
local terms energy: -55.268225
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -102.903178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.903178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.903178 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -41.735
Base-Backbone interact. energy: -1.360
local terms energy: -58.943319
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -102.278728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.278728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.278728 (E_RNA)
where:
Base-Base interactions energy: -48.132
where: short stacking energy: -36.795
Base-Backbone interact. energy: -0.129
local terms energy: -54.017798
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -87.681010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681010 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.196
local terms energy: -51.291513
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -86.522151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522151 (E_RNA)
where:
Base-Base interactions energy: -28.216
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.728
local terms energy: -57.578640
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -95.345814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.345814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.345814 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -25.800
Base-Backbone interact. energy: -0.102
local terms energy: -46.377268
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -221.093430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.093430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.093430 (E_RNA)
where:
Base-Base interactions energy: -139.655
where: short stacking energy: -63.858
Base-Backbone interact. energy: 0.377
local terms energy: -81.815007
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -217.704840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.704840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.704840 (E_RNA)
where:
Base-Base interactions energy: -135.923
where: short stacking energy: -63.145
Base-Backbone interact. energy: -1.092
local terms energy: -80.690186
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -127.307026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.307026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.307026 (E_RNA)
where:
Base-Base interactions energy: -57.929
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.300
local terms energy: -69.077755
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -174.079412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.079412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.079412 (E_RNA)
where:
Base-Base interactions energy: -94.765
where: short stacking energy: -47.869
Base-Backbone interact. energy: -2.059
local terms energy: -77.255229
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -130.837231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.837231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.837231 (E_RNA)
where:
Base-Base interactions energy: -60.762
where: short stacking energy: -49.451
Base-Backbone interact. energy: -0.134
local terms energy: -69.941648
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -105.526021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.526021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.526021 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.003
local terms energy: -64.230062
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -110.784931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.784931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.784931 (E_RNA)
where:
Base-Base interactions energy: -57.644
where: short stacking energy: -32.835
Base-Backbone interact. energy: -0.343
local terms energy: -52.797808
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -90.409185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409185 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.043
local terms energy: -55.869111
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -88.757998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.757998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.757998 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -27.211
Base-Backbone interact. energy: -0.107
local terms energy: -53.509958
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -77.589469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589469 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -22.144
Base-Backbone interact. energy: -0.296
local terms energy: -52.593730
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -220.297567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297567 (E_RNA)
where:
Base-Base interactions energy: -147.690
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.311
local terms energy: -72.296395
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -219.752325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.752325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.752325 (E_RNA)
where:
Base-Base interactions energy: -139.597
where: short stacking energy: -70.901
Base-Backbone interact. energy: -0.084
local terms energy: -80.071233
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -119.470110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.470110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.470110 (E_RNA)
where:
Base-Base interactions energy: -53.953
where: short stacking energy: -44.702
Base-Backbone interact. energy: -0.441
local terms energy: -65.075433
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -165.530769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.530769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.530769 (E_RNA)
where:
Base-Base interactions energy: -94.362
where: short stacking energy: -49.247
Base-Backbone interact. energy: -1.261
local terms energy: -69.907797
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -118.747518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.747518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.747518 (E_RNA)
where:
Base-Base interactions energy: -56.929
where: short stacking energy: -56.428
Base-Backbone interact. energy: -0.479
local terms energy: -61.339434
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -151.072462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.072462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.072462 (E_RNA)
where:
Base-Base interactions energy: -92.469
where: short stacking energy: -33.054
Base-Backbone interact. energy: -1.195
local terms energy: -57.408321
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -101.705531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.705531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.705531 (E_RNA)
where:
Base-Base interactions energy: -46.615
where: short stacking energy: -46.615
Base-Backbone interact. energy: -0.079
local terms energy: -55.011508
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -88.501427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.501427 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.102
local terms energy: -53.773961
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.092396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.092396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.092396 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.729
local terms energy: -49.194495
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -75.205607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.205607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.205607 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -15.610
Base-Backbone interact. energy: -0.087
local terms energy: -44.993120
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: 5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -216.886814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886814 (E_RNA)
where:
Base-Base interactions energy: -133.050
where: short stacking energy: -62.564
Base-Backbone interact. energy: -1.416
local terms energy: -82.420607
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -220.698699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.698699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.698699 (E_RNA)
where:
Base-Base interactions energy: -145.633
where: short stacking energy: -62.350
Base-Backbone interact. energy: -0.399
local terms energy: -74.666775
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -174.192941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192941 (E_RNA)
where:
Base-Base interactions energy: -106.667
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.225
local terms energy: -67.300348
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -123.897669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.897669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.897669 (E_RNA)
where:
Base-Base interactions energy: -58.684
where: short stacking energy: -49.190
Base-Backbone interact. energy: -0.749
local terms energy: -64.464733
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -159.499129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.499129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.499129 (E_RNA)
where:
Base-Base interactions energy: -100.761
where: short stacking energy: -36.094
Base-Backbone interact. energy: -0.491
local terms energy: -58.247024
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -107.791011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.791011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.791011 (E_RNA)
where:
Base-Base interactions energy: -55.511
where: short stacking energy: -42.876
Base-Backbone interact. energy: -0.105
local terms energy: -52.175108
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -104.376851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.376851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.376851 (E_RNA)
where:
Base-Base interactions energy: -49.546
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.420
local terms energy: -54.411347
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -90.866462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.866462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.866462 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.009
local terms energy: -57.330600
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -80.877346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877346 (E_RNA)
where:
Base-Base interactions energy: -31.737
where: short stacking energy: -19.549
Base-Backbone interact. energy: 0.237
local terms energy: -49.377681
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -77.367981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.367981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.367981 (E_RNA)
where:
Base-Base interactions energy: -28.147
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.161
local terms energy: -49.060251
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -220.321615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.321615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.321615 (E_RNA)
where:
Base-Base interactions energy: -135.268
where: short stacking energy: -63.296
Base-Backbone interact. energy: -0.006
local terms energy: -85.047650
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -190.398564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.398564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.398564 (E_RNA)
where:
Base-Base interactions energy: -122.345
where: short stacking energy: -52.187
Base-Backbone interact. energy: -0.857
local terms energy: -67.196663
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -218.554067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.554067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.554067 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.852
local terms energy: -74.795294
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -164.316560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.316560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.316560 (E_RNA)
where:
Base-Base interactions energy: -92.854
where: short stacking energy: -51.259
Base-Backbone interact. energy: -1.579
local terms energy: -69.883926
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -115.326022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.326022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.326022 (E_RNA)
where:
Base-Base interactions energy: -60.845
where: short stacking energy: -44.582
Base-Backbone interact. energy: -0.353
local terms energy: -54.127495
where:
bonds (distance) C4'-P energy: -6.926
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -115.707194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.707194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.707194 (E_RNA)
where:
Base-Base interactions energy: -64.516
where: short stacking energy: -37.831
Base-Backbone interact. energy: 0.357
local terms energy: -51.548192
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -102.945465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.945465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.945465 (E_RNA)
where:
Base-Base interactions energy: -44.111
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.767
local terms energy: -58.067325
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -90.046030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.046030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.046030 (E_RNA)
where:
Base-Base interactions energy: -23.786
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.180
local terms energy: -66.079399
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -83.314726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.314726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.314726 (E_RNA)
where:
Base-Base interactions energy: -35.225
where: short stacking energy: -36.825
Base-Backbone interact. energy: -0.186
local terms energy: -47.903652
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -74.103042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.103042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.103042 (E_RNA)
where:
Base-Base interactions energy: -23.727
where: short stacking energy: -23.570
Base-Backbone interact. energy: -0.601
local terms energy: -49.775426
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -191.508627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.508627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.508627 (E_RNA)
where:
Base-Base interactions energy: -117.072
where: short stacking energy: -61.657
Base-Backbone interact. energy: -1.025
local terms energy: -73.411745
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -219.435372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.435372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.435372 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.024
local terms energy: -78.106381
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -205.546506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.546506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.546506 (E_RNA)
where:
Base-Base interactions energy: -135.270
where: short stacking energy: -60.321
Base-Backbone interact. energy: 1.484
local terms energy: -71.760362
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -176.943635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.943635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.943635 (E_RNA)
where:
Base-Base interactions energy: -109.578
where: short stacking energy: -52.907
Base-Backbone interact. energy: 0.141
local terms energy: -67.507391
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -121.697639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.697639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.697639 (E_RNA)
where:
Base-Base interactions energy: -55.070
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.017
local terms energy: -66.611144
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -95.728818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.728818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.728818 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -35.154
Base-Backbone interact. energy: -0.152
local terms energy: -60.422622
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -98.191862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.191862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.191862 (E_RNA)
where:
Base-Base interactions energy: -42.906
where: short stacking energy: -43.006
Base-Backbone interact. energy: 0.127
local terms energy: -55.412808
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -86.242286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242286 (E_RNA)
where:
Base-Base interactions energy: -33.217
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.210
local terms energy: -52.815337
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -85.947247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.947247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.947247 (E_RNA)
where:
Base-Base interactions energy: -29.070
where: short stacking energy: -26.015
Base-Backbone interact. energy: -0.531
local terms energy: -56.346236
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -75.981161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.981161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.981161 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -29.618
Base-Backbone interact. energy: -0.064
local terms energy: -46.299239
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -189.924311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.924311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.924311 (E_RNA)
where:
Base-Base interactions energy: -117.212
where: short stacking energy: -53.759
Base-Backbone interact. energy: -1.140
local terms energy: -71.572012
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -220.813951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.813951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.813951 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.002
local terms energy: -70.519031
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -212.665471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.665471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.665471 (E_RNA)
where:
Base-Base interactions energy: -137.701
where: short stacking energy: -56.915
Base-Backbone interact. energy: -0.601
local terms energy: -74.362804
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -194.317530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.317530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.317530 (E_RNA)
where:
Base-Base interactions energy: -127.508
where: short stacking energy: -58.479
Base-Backbone interact. energy: -1.299
local terms energy: -65.510362
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -108.124407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.124407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.124407 (E_RNA)
where:
Base-Base interactions energy: -53.830
where: short stacking energy: -36.507
Base-Backbone interact. energy: 0.786
local terms energy: -55.080930
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -99.521507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.521507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.521507 (E_RNA)
where:
Base-Base interactions energy: -46.431
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.132
local terms energy: -52.959407
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -95.797363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.797363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.797363 (E_RNA)
where:
Base-Base interactions energy: -39.133
where: short stacking energy: -32.550
Base-Backbone interact. energy: -0.142
local terms energy: -56.522989
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -95.765834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.765834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.765834 (E_RNA)
where:
Base-Base interactions energy: -47.638
where: short stacking energy: -40.425
Base-Backbone interact. energy: -0.146
local terms energy: -47.981638
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -8.413
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -86.735298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.735298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.735298 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -18.682
Base-Backbone interact. energy: 0.650
local terms energy: -57.991999
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -88.029512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029512 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -34.978
Base-Backbone interact. energy: -0.120
local terms energy: -50.228450
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -0.585
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -233.830964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.830964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.830964 (E_RNA)
where:
Base-Base interactions energy: -148.868
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.655
local terms energy: -84.307348
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -188.257163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.257163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.257163 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.306
local terms energy: -72.795015
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -219.866540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.866540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.866540 (E_RNA)
where:
Base-Base interactions energy: -138.181
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.094
local terms energy: -81.590979
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -171.080570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.080570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.080570 (E_RNA)
where:
Base-Base interactions energy: -100.742
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.349
local terms energy: -69.990185
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -105.047733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.047733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.047733 (E_RNA)
where:
Base-Base interactions energy: -48.341
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.168
local terms energy: -56.538109
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -101.132996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132996 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.069
local terms energy: -60.369316
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -110.446129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.446129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.446129 (E_RNA)
where:
Base-Base interactions energy: -46.171
where: short stacking energy: -43.255
Base-Backbone interact. energy: -0.069
local terms energy: -64.206132
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -94.276556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276556 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.243
local terms energy: -51.365315
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -86.570778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.570778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.570778 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -31.922
Base-Backbone interact. energy: 0.340
local terms energy: -51.435185
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -7.920
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -76.667844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.667844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.667844 (E_RNA)
where:
Base-Base interactions energy: -27.077
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.280
local terms energy: -49.311297
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: 2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -221.623081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.623081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.623081 (E_RNA)
where:
Base-Base interactions energy: -148.415
where: short stacking energy: -69.977
Base-Backbone interact. energy: -1.122
local terms energy: -72.086451
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -221.129069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.129069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.129069 (E_RNA)
where:
Base-Base interactions energy: -140.646
where: short stacking energy: -55.341
Base-Backbone interact. energy: -1.595
local terms energy: -78.888107
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -183.234563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.234563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.234563 (E_RNA)
where:
Base-Base interactions energy: -106.442
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.657
local terms energy: -76.135498
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -134.294736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.294736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.294736 (E_RNA)
where:
Base-Base interactions energy: -75.732
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.120
local terms energy: -58.442735
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -169.348476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.348476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.348476 (E_RNA)
where:
Base-Base interactions energy: -102.778
where: short stacking energy: -47.514
Base-Backbone interact. energy: -0.163
local terms energy: -66.407814
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -91.852744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852744 (E_RNA)
where:
Base-Base interactions energy: -39.774
where: short stacking energy: -32.088
Base-Backbone interact. energy: 0.270
local terms energy: -52.348349
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -95.586787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.586787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.586787 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.081
local terms energy: -48.585955
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -90.826372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.826372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.826372 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -38.085
Base-Backbone interact. energy: 2.569
local terms energy: -55.309891
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -76.898724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.898724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.898724 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -21.893
Base-Backbone interact. energy: -0.121
local terms energy: -49.241252
where:
bonds (distance) C4'-P energy: -5.552
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -89.583093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.583093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.583093 (E_RNA)
where:
Base-Base interactions energy: -37.860
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.266
local terms energy: -51.456961
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -226.221131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.221131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.221131 (E_RNA)
where:
Base-Base interactions energy: -138.104
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.046
local terms energy: -88.070641
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -214.627251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.627251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.627251 (E_RNA)
where:
Base-Base interactions energy: -137.787
where: short stacking energy: -61.032
Base-Backbone interact. energy: -0.674
local terms energy: -76.166200
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -180.229567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.229567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.229567 (E_RNA)
where:
Base-Base interactions energy: -104.702
where: short stacking energy: -66.301
Base-Backbone interact. energy: 0.259
local terms energy: -75.787004
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -113.454726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.454726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.454726 (E_RNA)
where:
Base-Base interactions energy: -49.484
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.110
local terms energy: -63.860510
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -155.899167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.899167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.899167 (E_RNA)
where:
Base-Base interactions energy: -92.382
where: short stacking energy: -53.837
Base-Backbone interact. energy: 0.539
local terms energy: -64.055755
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -104.855946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.855946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.855946 (E_RNA)
where:
Base-Base interactions energy: -51.011
where: short stacking energy: -39.782
Base-Backbone interact. energy: -0.160
local terms energy: -53.685613
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -115.600245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.600245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.600245 (E_RNA)
where:
Base-Base interactions energy: -55.513
where: short stacking energy: -47.073
Base-Backbone interact. energy: -0.186
local terms energy: -59.901508
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -102.651249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.651249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.651249 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.658
local terms energy: -58.602488
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -79.930802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.930802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.930802 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -26.237
Base-Backbone interact. energy: 0.980
local terms energy: -49.321245
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -83.876733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876733 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -25.353
Base-Backbone interact. energy: -1.720
local terms energy: -53.185132
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -224.594109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.594109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.594109 (E_RNA)
where:
Base-Base interactions energy: -144.069
where: short stacking energy: -68.652
Base-Backbone interact. energy: -0.115
local terms energy: -80.410563
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -208.982525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.982525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.982525 (E_RNA)
where:
Base-Base interactions energy: -131.635
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.129
local terms energy: -77.218377
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -177.457255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.457255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.457255 (E_RNA)
where:
Base-Base interactions energy: -105.483
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.001
local terms energy: -71.973041
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -170.070582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.070582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.070582 (E_RNA)
where:
Base-Base interactions energy: -101.018
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.635
local terms energy: -68.417158
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -107.056794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.056794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.056794 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -32.091
Base-Backbone interact. energy: -0.116
local terms energy: -60.028462
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -114.642610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.642610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.642610 (E_RNA)
where:
Base-Base interactions energy: -60.664
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.465
local terms energy: -53.513793
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -100.466096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.466096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.466096 (E_RNA)
where:
Base-Base interactions energy: -45.197
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.049
local terms energy: -55.220155
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -97.395193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.395193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.395193 (E_RNA)
where:
Base-Base interactions energy: -39.592
where: short stacking energy: -39.592
Base-Backbone interact. energy: -0.082
local terms energy: -57.721215
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -82.624703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.624703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.624703 (E_RNA)
where:
Base-Base interactions energy: -28.062
where: short stacking energy: -28.062
Base-Backbone interact. energy: 0.517
local terms energy: -55.080009
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -91.168213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168213 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.272
local terms energy: -59.104859
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -222.612734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.612734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.612734 (E_RNA)
where:
Base-Base interactions energy: -135.472
where: short stacking energy: -64.077
Base-Backbone interact. energy: -0.326
local terms energy: -86.815589
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -216.920583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.920583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.920583 (E_RNA)
where:
Base-Base interactions energy: -147.424
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.606
local terms energy: -68.890404
where:
bonds (distance) C4'-P energy: -7.133
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -177.584872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.584872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.584872 (E_RNA)
where:
Base-Base interactions energy: -105.907
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.035
local terms energy: -71.643342
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -172.432965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.432965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.432965 (E_RNA)
where:
Base-Base interactions energy: -101.998
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.201
local terms energy: -70.234217
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -102.201946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.201946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.201946 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -24.810
Base-Backbone interact. energy: 0.030
local terms energy: -60.318081
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -105.442266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.442266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.442266 (E_RNA)
where:
Base-Base interactions energy: -44.236
where: short stacking energy: -40.058
Base-Backbone interact. energy: 0.359
local terms energy: -61.565156
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -90.299016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.299016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.299016 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -23.162
Base-Backbone interact. energy: -0.864
local terms energy: -53.546251
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -100.297515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.297515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.297515 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -38.210
Base-Backbone interact. energy: -0.540
local terms energy: -62.747460
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -84.166798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166798 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -30.204
Base-Backbone interact. energy: 0.385
local terms energy: -49.771060
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -74.150815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.150815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.150815 (E_RNA)
where:
Base-Base interactions energy: -25.109
where: short stacking energy: -25.109
Base-Backbone interact. energy: -0.146
local terms energy: -48.895737
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/miRNA-b7fa0280_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -217.561890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561890 (E_RNA)
where:
Base-Base interactions energy: -134.222
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.015
local terms energy: -83.324941
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -217.370024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.370024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.370024 (E_RNA)
where:
Base-Base interactions energy: -139.962
where: short stacking energy: -67.931
Base-Backbone interact. energy: -0.003
local terms energy: -77.404915
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -176.487038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.487038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.487038 (E_RNA)
where:
Base-Base interactions energy: -112.663
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.478
local terms energy: -63.346212
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -185.284006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.284006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.284006 (E_RNA)
where:
Base-Base interactions energy: -113.859
where: short stacking energy: -56.233
Base-Backbone interact. energy: -0.265
local terms energy: -71.160258
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -103.653147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.653147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.653147 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -38.347
Base-Backbone interact. energy: -0.838
local terms energy: -61.745241
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -96.449066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.449066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.449066 (E_RNA)
where:
Base-Base interactions energy: -40.400
where: short stacking energy: -32.572
Base-Backbone interact. energy: -0.123
local terms energy: -55.925467
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -105.725715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.725715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.725715 (E_RNA)
where:
Base-Base interactions energy: -47.760
where: short stacking energy: -47.100
Base-Backbone interact. energy: -0.097
local terms energy: -57.868603
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -88.199620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199620 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.114
local terms energy: -51.359938
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -71.628436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.628436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.628436 (E_RNA)
where:
Base-Base interactions energy: -23.673
where: short stacking energy: -23.673
Base-Backbone interact. energy: 0.524
local terms energy: -48.479018
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -86.090206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.090206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.090206 (E_RNA)
where:
Base-Base interactions energy: -31.432
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.083
local terms energy: -54.575022
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -224.387915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.387915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.387915 (E_RNA)
where:
Base-Base interactions energy: -144.575
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.008
local terms energy: -79.805176
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -214.214451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.214451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.214451 (E_RNA)
where:
Base-Base interactions energy: -133.454
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.137
local terms energy: -80.623739
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -175.043043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.043043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.043043 (E_RNA)
where:
Base-Base interactions energy: -103.966
where: short stacking energy: -52.299
Base-Backbone interact. energy: -0.951
local terms energy: -70.126679
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -184.149172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.149172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.149172 (E_RNA)
where:
Base-Base interactions energy: -100.761
where: short stacking energy: -55.709
Base-Backbone interact. energy: -0.589
local terms energy: -82.799838
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -105.800416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.800416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.800416 (E_RNA)
where:
Base-Base interactions energy: -47.439
where: short stacking energy: -38.804
Base-Backbone interact. energy: -0.213
local terms energy: -58.148125
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -96.327648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.327648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.327648 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -34.750
Base-Backbone interact. energy: -0.143
local terms energy: -59.731873
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -93.507252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.507252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.507252 (E_RNA)
where:
Base-Base interactions energy: -42.197
where: short stacking energy: -27.311
Base-Backbone interact. energy: -0.082
local terms energy: -51.228163
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -81.010174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.010174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.010174 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -24.695
Base-Backbone interact. energy: -0.514
local terms energy: -46.016383
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -88.893107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.893107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.893107 (E_RNA)
where:
Base-Base interactions energy: -39.324
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.304
local terms energy: -49.264819
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -79.133514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133514 (E_RNA)
where:
Base-Base interactions energy: -35.895
where: short stacking energy: -35.895
Base-Backbone interact. energy: -0.129
local terms energy: -43.109434
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -8.909
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE